Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10172161

Structure

InChI Key RUIKOPXSCCGLOM-UHFFFAOYSA-N
Smiles CCCP(=O)(OCC)OCC
InChI
InChI=1S/C7H17O3P/c1-4-7-11(8,9-5-2)10-6-3/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17O3P1
Molecular Weight 180.09
AlogP 2.66
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 18812-51-6
NORMAN SUSDAT
PubChem 140428
ChemSpider 123852.0