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

Structure

InChI Key RCMSABHBOBOMFR-UHFFFAOYSA-N
Smiles O=C1CCC2=C1CCC2
InChI
InChI=1S/C8H10O/c9-8-5-4-6-2-1-3-7(6)8/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O1
Molecular Weight 122.07
AlogP 1.83
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 85410-09-9
NORMAN SUSDAT