Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10957910

Structure

InChI Key GOFSZEWOPLAOPS-UHFFFAOYSA-N
Smiles OC1CCC(O)C(O)CCC1O
InChI
InChI=1/C8H16O4/c9-5-1-2-6(10)8(12)4-3-7(5)11/h5-12H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O4
Molecular Weight 176.1
AlogP -1.0
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Polar Surface Area 80.92
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 36653-42-6
NORMAN SUSDAT
PubChem 3015854