Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4Y8F71G49Q
EPA CompTox DTXSID90202556

Structure

InChI Key WSMYVTOQOOLQHP-UHFFFAOYSA-N
Smiles O=CCC=O
InChI
InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4O2
Molecular Weight 72.02
AlogP -0.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 542-78-9
NORMAN SUSDAT
FDA SRS 4Y8F71G49Q
PubChem 10964