Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S36BKW6LVE
EPA CompTox DTXSID2074297

Structure

InChI Key VFSFCYAQBIPUSL-UHFFFAOYSA-N
Smiles C1CC1c1ccccc1
InChI
InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10
Molecular Weight 118.08
AlogP 2.56
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 873-49-4
NORMAN SUSDAT
FDA SRS S36BKW6LVE
PubChem 70112
ChemSpider 63300.0