Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50884473

Structure

InChI Key PZBBESSUKAHBHD-UHFFFAOYSA-N
Smiles O=C(OC)C1C(=O)CCC1
InChI
InChI=1/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O3
Molecular Weight 142.06
AlogP 0.53
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 43.37
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10472-24-9
NORMAN SUSDAT
PubChem 66328