Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FVC6V863Y2
EPA CompTox DTXSID0067719

Structure

InChI Key HFLMYYLFSNEOOT-UHFFFAOYSA-N
Smiles COC(=O)CC(=O)CCl
InChI
InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7Cl1O3
Molecular Weight 150.01
AlogP 0.36
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 43.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 32807-28-6
NORMAN SUSDAT
FDA SRS FVC6V863Y2
PubChem 36240
ChemSpider 262782.0