1,2-Cyclohexanedione, 3,5,5-trimethyl-


Chemical Name: 1,2-Cyclohexanedione, 3,5,5-trimethyl-
CAS Number: 57696-89-6
Product Number: AG003IJJ(AGN-PC-0JM0C4)
Synonyms:
MDL No: MFCD02181023
Molecular Formula: C9H14O2
Molecular Weight: 154.2063

Identification/Properties


Properties
MP:
89-92℃
BP:
214.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
154.209g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
154.099g/mol
Monoisotopic Mass:
154.099g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
204
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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