Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GI7U82BL5A

Structure

InChI Key MNQZXJOMYWMBOU-GSVOUGTGSA-N
Smiles OCC(O)C=O
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O3
Molecular Weight 90.03
AlogP -1.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 57.53
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 497-09-6
NORMAN SUSDAT
FDA SRS GI7U82BL5A
PubChem 439723
ChemSpider 388787.0