Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 58584HOZ1Z
EPA CompTox DTXSID80227612

Structure

InChI Key PBGVMIDTGGTBFS-UHFFFAOYSA-N
Smiles C=CCCc1ccccc1
InChI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12
Molecular Weight 132.09
AlogP 2.81
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 768-56-9
NORMAN SUSDAT
FDA SRS 58584HOZ1Z
PubChem 13033
ChemSpider 12491.0