Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2WKF1QUU1D
EPA CompTox DTXSID70183612

Structure

InChI Key PAVNZLVXYJDFNR-UHFFFAOYSA-N
Smiles CC1(C)CCC(=O)OC1=O
InChI
InChI=1S/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O3
Molecular Weight 142.06
AlogP 0.88
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2938-48-9
NORMAN SUSDAT
FDA SRS 2WKF1QUU1D
PubChem 76247
ChemSpider 68726.0