Metabolomics Structure Database

 
MW REGNO: 50670
Common Name:Formaldehyde
Systematic Name:formaldehyde
RefMet Name:Formaldehyde
Synonyms:FORMALDEHYDE; Formaldehyd; formaldehyde [PubChem Synonyms]
Exact Mass:
30.0106 (neutral)    Calculate m/z:
Formula:CH2O
InChIKey:WSFSSNUMVMOOMR-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organic oxides [C0003940]
ClassyFire subclass:Organic oxides [C0003940]
ClassyFire direct parent:Aliphatic acyclic compounds
SMILES:C=O
Studies:Available studies (via RefMet name)

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Calculated physicochemical properties (?):

Heavy Atoms: 2  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 0  
van der Waals Molecular volume: 32.01 Å3 molecule-1  
Toplogical Polar Sufrace Area: 17.07 Å2 molecule-1  
Hydrogen Bond Donors: 0  
Hydrogen Bond Acceptors: 1  
logP: -0.18  
Molar Refractivity: 7.12  
Fraction sp3 Carbons: 0.00  
sp3 Carbons: 0  

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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