2-Isobutyrylcyclohexanone

Catalog Number	ACM39207653-1
CAS	39207-65-3
Structure
Synonyms	2-(2-Methyl-1-oxopropyl)cyclohexanone
IUPAC Name	2-(2-methylpropanoyl)cyclohexan-1-one
Molecular Weight	168.23
Molecular Formula	C10H16O2
Canonical SMILES	CC(C)C(=O)C1CCCCC1=O;
InChI	PFOYYSGBGILOQZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
Boiling Point	266 °C
Melting Point	38 °C
Flash Point	104.4 °C
Purity	97%
Density	1.0076 g/cm3 at 25 °C
Appearance	Colorless liquid
Complexity	194
Covalently-Bonded Unit Count	1
Exact Mass	168.115g/mol
Heavy Atom Count	12
Isomeric SMILES	CC(C)C(=O)C1CCCCC1=O
Monoisotopic Mass	168.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2