Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZR4UH5MC4C
EPA CompTox DTXSID90227401

Structure

InChI Key FGGJBCRKSVGDPO-UHFFFAOYSA-N
Smiles OOC1CCCCC1
InChI
InChI=1S/C6H12O2/c7-8-6-4-2-1-3-5-6/h6-7H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O2
Molecular Weight 116.08
AlogP 1.81
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 766-07-4
NORMAN SUSDAT
FDA SRS ZR4UH5MC4C
PubChem 69835
ChemSpider 63032.0