Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PS74H8Y5CW
EPA CompTox DTXSID70184982

Structure

InChI Key GCVGDGFZLSSUIO-UHFFFAOYSA-N
Smiles ClC1=CCOC1=O
InChI
InChI=1S/C4H3ClO2/c5-3-1-2-7-4(3)6/h1H,2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3Cl1O2
Molecular Weight 117.98
AlogP 0.67
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 31004-27-0
NORMAN SUSDAT
FDA SRS PS74H8Y5CW
PubChem 3015528
ChemSpider 2283655.0