Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MWX5D7S5MN
EPA CompTox DTXSID40499939

Structure

InChI Key IXHZGHPQQTXOKV-RXMQYKEDSA-N
Smiles COC(=O)[C@H]1CCCO1
InChI
InChI=1S/C6H10O3/c1-8-6(7)5-3-2-4-9-5/h5H,2-4H2,1H3/t5-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O3
Molecular Weight 130.06
AlogP 0.34
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 35.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 87324-00-3
NORMAN SUSDAT
FDA SRS MWX5D7S5MN