Keyword(s): Smoke compounds
Molecule Category Free-form
UNII 737PTD7O7E
EPA CompTox DTXSID6050386

Structure

InChI Key ZLCSFXXPPANWQY-UHFFFAOYSA-N
Smiles CCc1cccc(C)c1
InChI
InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12
Molecular Weight 120.09
AlogP 2.56
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 620-14-4
NORMAN SUSDAT
FDA SRS 737PTD7O7E
PubChem 12100
ChemSpider 11603.0