Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VNJ65NL2TF
EPA CompTox DTXSID6059316

Structure

InChI Key VODRWDBLLGYRJT-UHFFFAOYSA-N
Smiles CC(C)OC(=O)CCl
InChI
InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9Cl1O2
Molecular Weight 136.03
AlogP 1.18
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 105-48-6
NORMAN SUSDAT
FDA SRS VNJ65NL2TF
PubChem 7759
ChemSpider 7473.0