Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9G72074TUW
EPA CompTox DTXSID8024864

Structure

InChI Key MLUCVPSAIODCQM-IHWYPQMZSA-N
Smiles CC=C/C=O
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O1
Molecular Weight 70.04
AlogP 0.76
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 4170-30-3
NORMAN SUSDAT
FDA SRS 9G72074TUW
PubChem 643950
ChemSpider 559039.0