Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8Y4RR2U2KA
EPA CompTox DTXSID70218372

Structure

InChI Key DREPONDJUKIQLX-UHFFFAOYSA-N
Smiles CCOP(=O)(OCC)C=C
InChI
InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13O3P1
Molecular Weight 164.06
AlogP 2.4
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 35.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 682-30-4
NORMAN SUSDAT
FDA SRS 8Y4RR2U2KA
PubChem 69629
ChemSpider 62832.0