Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20915869

Structure

InChI Key YVBCGAYPLVHGSK-UHFFFAOYSA-N
Smiles OC1CCCCC(O)C(O)C1
InChI
InChI=1/C8H16O3/c9-6-3-1-2-4-7(10)8(11)5-6/h6-11H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O3
Molecular Weight 160.11
AlogP 0.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 60.69
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 94249-16-8
NORMAN SUSDAT
PubChem 3024172