3-Methylcyclohexanone

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Catalog Number
ACM591242
Product Name
3-Methylcyclohexanone
Structure
Structure
CAS
591-24-2
Category
Heterocyclic Organic Compound
Synonyms
Cyclohexanone, 3-methyl-
IUPAC Name
(3R)-3-methylcyclohexan-1-one
Molecular Weight
112.17
Molecular Formula
C7H12O
Canonical SMILES
CC1CCCC(=O)C1
InChI Key
UJBOOUHRTQVGRU-ZCFIWIBFSA-N
Boiling Point
169-170 °C at 760 mmHg
Melting Point
-73ºC
Flash Point
48ºC
Density
0.912g/cm³
Appearance
CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
Complexity
97
Defined Atom Stereocenter Count
0
EC Number
209-710-7
Exact Mass
112.0888
Formal Charge
0
Hazard Statements
Xn
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
8
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
112.0888
Packing Group
III
Rotatable Bond Count
0
Safety Description
S36/37
Topological Polar Surface Area
17.1 Ų
WGK Germany
1
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