1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-


Chemical Name: 1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-
CAS Number: 1755-15-3
Product Number: AG00210W(AGN-PC-0JS8VQ)
Synonyms:
MDL No:
Molecular Formula: C10H14O3
Molecular Weight: 182.2164

Identification/Properties


Properties
MP:
36 °C
BP:
307.4 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
182.219g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
182.094g/mol
Monoisotopic Mass:
182.094g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
256
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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