Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40194331

Structure

InChI Key BAEVZTYQZQWKMM-UHFFFAOYSA-N
Smiles CC(=C)C(=O)OCP(=O)(C)C
InChI
InChI=1S/C7H13O3P/c1-6(2)7(8)10-5-11(3,4)9/h1,5H2,2-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13O3P1
Molecular Weight 176.06
AlogP 1.69
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 43.37
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 41392-09-0
NORMAN SUSDAT
PubChem 3016274
ChemSpider 2284245.0