Standard Compound Records

Database Entry: cq_00043

2D-Structure

3D-Structure

(Powered by ChemAxon Marvin)

Basic Information

Name:Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin
Synonyms:Formaldehyde;Methanal;Oxomethane;Oxomethylene;Methylene oxide;Formalin;112068-71-0;50-00-0;8005-38-7;8006-07-3;8013-13-6;AI3-26806;Aldehyd mravenci [Czech];Aldehyde formique [French];Aldehyde formique [ISO-French];Aldeide formica [Italian];BFV;CCRIS 315;Caswell No. 465;Dormol;EINECS 200-001-8;EPA Pesticide Chemical Code 043001;FORMALDEHYDE;FYDE;Fannoform;Formaldehyd [Czech, Polish];Formaldehyde (gas);Formaldehyde [BSI:ISO];Formaldehyde solution;Formaldehyde, gas;Formaldehyde, solution;Formaldehyde, solution (37% to 50%);Formaldehyde, solutions with not <25% formaldehyde [UN2209] [Corrosive];Formaldehyde, solutions, flammable [UN1198] [Flammable liquid];Formalin 40;Formalin-loesungen [German];Formalina [Italian];Formaline [German];Formalith;Formic aldehyde;Formol;HSDB 164;Karsan;Lysoform;Methaldehyde;Methyl aldehyde;Morbicid;NCI-C02799;NSC 298885;Oplossingen [Dutch];Oxymethylene;Paraform;RCRA waste no. U122;RCRA waste number U122;Superlysoform;UN 1198;UN 2209 (formalin);UN1198;UN2209;formaldehyde;methanal;HMDB01426;;Formic aldehyde;HCHO
Molecular Weight:30.02598
Formula:CH2O
CAS:112068-71-0;50-00-0;8005-38-7;8006-07-3;8013-13-6
Isomeric SMILES:C=O
Canonical SMILES:C=O
InChI:InChI=1/CH2O/c1-2/h1H2
Experimental Water Solubility:400 mg/mL at 20 oC [PICKRELL,JA et al. (1983)]
Predicted Water Solubility:197 mg/mL [Predicted by ALOGPS]
Experimental LogP(octanol-water):0.35 [HANSCH,C ET AL. (1995)]
Predicted LogP(octanol-water):-0.68 [Predicted by ALOGPS]; 0 [Predicted by PubChem via XLOGP]

Biology and Chemistry related

KEGG Compound ID:C00067
PubChem SID:148516
PubChem CID:712
ChemIDplus:000050000
CHEBI:16842
HMDB:|HMDB01426|
PDB Component ID:|CMO||FOR||FLH|
MetaCyc ID:|FORMALDEHYDE|
UM-BBD ID:|c0122|
BMRB ID:|Formaldehyde|

NMR related

MMCD Experimental_NMR: expnmr_00258 ||

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C2433,1,211197.0N_AN_AN_A
2O32422N_AN_AN_AN_A
3H114N_AN_A9.6N_AN_AN_A
4H214N_AN_A9.6N_AN_AN_A

Mass Spectra related

HMDB_MASS_SPEC: HMDB01426||

C12N14 Mass data:30.0105646863
C13N14 Mass data:31.0139195241
C12N15 Mass data:30.0105646863
C13N15 Mass data:31.0139195241

Miscellanea

Order_Status:DONE
Organism:aci; afu; ago; atc; ath; atu; ava; baa; ban; bar; bat; bba; bbr; bca; bce; bcl; bcz; bfs; bha; bja; bld; bli; bma; bmb; bme; bms; bpa; bpe; bps; bsu; bth; btk; bur; cal; cbu; ccr; cdi; cef; cel; cgb; cgl; cje; cjk; cjr; cme; cne; cps; cvi; daga; dame; dar; dbmo; dcbr; dcgr; dcin; dcnb; ddha; ddi; ddpo; dfru; dkla; kwa; dme; dmgr; dncr; dps; dpyo; dra; dre; dsba; dsmi; dspd; dtni; dvu; dyli; eath; eba; ebna; eca; ecc; ece; ecj; eco; ecs; ecsi; efa; egar; egma; egra; ehan; ehvu; elco; eles; elsa; emtr; eosa; epba; eppa; epta; esbi; esof; estu; etae; evvi; ezma; ftu; gka; gox; gsu; gvi; hal; hhe; hin; hit; hma; hpj; hpy; h; a; ilo; lic; lil; lin; lmf; lmo; lpf; lpl; lpn; lpp; lxx; mac; map; mba; mbo; mca; mlo; mma; mmu; mmy; mpa; mpu; msu; mtc; mtu; neu; nfa; ngo; nma; nme; noc; nph; nwi; oih; pac; pae; par; pfa; pfl; pfo; pha; plu; pmu; ppr; ppu; psb; psp; pst; pub; rba; reu; rno; rpa; rso; rsp; sac; sag; sam; san; sar; sas; sau; sav; s; e; sco; sec; sep; ser; sfl; sfx; sha; sil; sma; sme; son; spa; spg; spm; spo; sps; spt; spy; ssp; sth; stm; stt; sty; syc; syn; tbd; tfu; tth; ttj; vch; vfi; vpa; vvu; vvy; xac; xcb; xcc; xcv; xfa; xft; xoo; ype; ypk; ypm; yps; zmo; hsa; aau; aav; aba; abo; ace; aeh; aha; ajs; art; azo; bam; bch; bcn; bfr; bmf; bpm; bta; bte; bxe; cch; cff; chu; cph; csa; dge; dkwa; dvl; eci; ecp; ecsv; emte; espu; fal; fra; ftf; fth; ftl; gbe; gfo; hac; hch; hha; hne; hpa; hwa; jan; ko; lsa; lwe; maq; mav; mbu; mcp; mes; mfa; mhu; mkm; mmc; mmr; msm; mta; mtp; mva; mxa; nar; nca; net; nha; nmu; osa; pat; pca; pcr; pde; pen; pin; pis; pna; pol; ppd; ptr; rde; reh; ret; rha; rle; rme; rpb; rpc; rpd; rpe; rru; saa; sab; sak; sal; sao; sat; saz; sbo; sce; sde; sdn; sfr; sfu; sgl; she; shm; shn; shw; sit; spb; spz; sru; ssc; ssn; sus; syd; syf; tdn; ter; tpe; xla; xtr; ypa; ypn; aaeo63363; afer243159; aful2234; amar234826; anae240017; aper56636; apha212042; asp62977; asp76114; avar240292; babo262698; baph198804; baph224915; bbac264462; bbro518; bbur139; bcer226900; bflo203907; bfra295405; bgar290434; bhal86665; bhen283166; bjap224911; blic279010; blon206672; bmal243160; bmel29459; bmel359391; bpar519; bper520; bpse28450; bqui283165; bsp107806; bsub1423; bsui204722; btha57975; bthe226186; cace1488; caulo; cblo203907; cblo291272; cbur227377; ccav227941; cdip1717; ceff196164; cglu196627-1; cglu196627; cjei306537; cjej192222; cjej195099; cmur83560; cpel335992; cper1502; cpne115711; cpne115713; cpne138677; cpne182082; ctep194439; ctet212717; cvio243365; daro159087; ddes207559; deth61435; dpsy177439; dvul882; ecan269484; echa205920; ecol83334-1; efae226185; erum254945; erum302405; fnuc190304; gkau235909; gmet269799; goxy290633; gsul35554; gvio251221; hduc233412; hhep235279; hinf281310; hinf71421; hmar272569; hpyl85963; hsp64091; human; iloi283942; laci272621; lint189518; ljoh257314; llac1360; lmon265669; lpla220668; lpne272624; lxyl281090; mace188937; mbar269797; mcap243233; mgen2097; mhyo295358; mjan243232; mlep1769; mlot381; mmar267377; mmaz192952; mmob267748; mmyc44101; mpen28227; mpul2107; msme246196; mxan246197; neur228410; nfar247156; ngon242231; nmen491; nmen65699; nmul323848; noce323261; npha348780; nsen222891; nsp103690; nwin323098; oihe182710; pacn267747; paer287; parc259536; pcar338963; pfur186497; pgin242619; pint246198; plum243265; pmar167539; pmar59919; pmar74546; pmar74547; ppro298386; psp117; psp264201; psyr223283; ptor263820; rcon781; reut264198; rpal258594; rsol305; rsph272943; saur158878; saur158879; saur196620; saur282458; saur282459; saur93062; save227882; sboy300268; scoe1902; sdys300267; selo1140; selo269084; sent209261; sent295319; sent90370; sepi176279; sepi176280; sfle198214; smel382; sone211586; spne1313; spne170187; spom246200; spyo160490; spyo186103; spyo295319; ssol2287; ssp1131-1; ssp1131; ssp1148; ssp84588; sthe264199; sthe292459; sthe299768; stok111955; taci2303; tcru317025; tden243275; tden292415; telo197221; tkod69014; tmar2336; tten119072; tthe300852; tvol50339; twhi203267; uure2130; vcho243277; vfis312309; vpar223926; vvul216895; wpip955; wsp80849; wsuc844; xaxo190486; xcam314565; xfas183190; ypes187410; ypes632; ypse273123; zmob264203; acb; acr; afm; afw; amt; ani; aor; apl; asu; bay; bbt; bcy; bml; bmn; bmv; bov; bpd; bpl; bra; btl; bvi; cbd; cbe; cfa; cjd; cjj; ckl; dpkn; dsy; ecv; eli; ent; fjo; fps; ftw; gga; har; hip; kra; lip; mbb; mbn; mem; mgi; mjl; mmq; mms; mpt; nmc; oan; pap; pas; pau; pcl; pic; pmy; pnu; ppf; prw; rci; rsh; rsq; rxy; sah; saj; sbl; sbm; sen; sfv; slo; smd; spc; spj; spu; sun; swi; syr; syx; tet; vco; vei; xau; xom; ypi; ypp
Location:
Isomer:
Salt:
Data Source:kegg;hmdb;pdb;biocyc;um-bbd
Similar Structure:
Comments: