Octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one

Catalog	ACM41724190
CAS	41724-19-0
Structure
Synonyms	Plikatone
IUPAC Name	5-Methyltricyclo[6.2.1.02,7]undecan-4-one
Molecular Weight	178.27
Molecular Formula	C12H18O
Canonical SMILES	CC1CC2C3CCC(C3)C2CC1=O
InChI	InChI=1S/C12H18O/c1-7-4-10-8-2-3-9(5-8)11(10)6-12(7)13/h7-11H,2-6H2,1H3
InChI Key	VWFXPROOUAWFEE-UHFFFAOYSA-N
Boiling Point	120-122 °C
Flash Point	>100 °C
Purity	95%+
Density	1.026±0.06 g/cm³
Exact Mass	178.135765193
Monoisotopic Mass	178.135765193
Physical State	Liquid
Refractive Index	n20/D 1.502-1.506(lit.)
Topological Polar Surface Area	17.1 Ų