Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C8456O4551

Structure

InChI Key RZTOWFMDBDPERY-UHFFFAOYSA-N
Smiles CC1CCCC(=O)O1
InChI
InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2
Molecular Weight 114.07
AlogP 1.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 823-22-3
NORMAN SUSDAT
FDA SRS C8456O4551
PubChem 13204
ChemSpider 12649.0