Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S468FB0QE4
EPA CompTox DTXSID60862267

Structure

InChI Key BSABBBMNWQWLLU-VKHMYHEASA-N
Smiles C[C@H](O)C=O
InChI
InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O2
Molecular Weight 74.04
AlogP -0.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 598-35-6
NORMAN SUSDAT
FDA SRS S468FB0QE4
PubChem 439231