Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10887723

Structure

InChI Key JLXZKMOMWUDKLK-UHFFFAOYSA-N
Smiles O(P(OC)OCC1CC2C=CC1C2)C
InChI
InChI=1/C10H17O3P/c1-11-14(12-2)13-7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17O3P
Molecular Weight 216.09
AlogP 2.73
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 27.69
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 70766-47-1
NORMAN SUSDAT
PubChem 116686