4,4-dimethylcyclohexan-1-one


Chemical Name: 4,4-dimethylcyclohexan-1-one
CAS Number: 4255-62-3
Product Number: AG00C09H(AGN-PC-0JMPY5)
Synonyms:
MDL No:
Molecular Formula: C8H14O
Molecular Weight: 126.1962

Identification/Properties


Properties
MP:
38 - 39 °C
BP:
170.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.46442 (22.45℃)
Computed Properties
Molecular Weight:
126.199g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
126.104g/mol
Monoisotopic Mass:
126.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
113
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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