Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L2C2GGG8N8
EPA CompTox DTXSID5070810

Structure

InChI Key BYGSYDXJMRSMSS-UHFFFAOYSA-N
Smiles CP(C)CCOC(=O)C(=C)C
InChI
InChI=1S/C8H15O2P/c1-7(2)8(9)10-5-6-11(3)4/h1,5-6H2,2-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15O2P1
Molecular Weight 174.08
AlogP 1.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 67905-47-9
NORMAN SUSDAT
FDA SRS L2C2GGG8N8
PubChem 106048
ChemSpider 95540.0