1,3-Cyclohexanedione, 2-acetyl-


Chemical Name: 1,3-Cyclohexanedione, 2-acetyl-
CAS Number: 4056-73-9
Product Number: AG003GAR(AGN-PC-0JMPWL)
Synonyms:
MDL No:
Molecular Formula: C8H10O3
Molecular Weight: 154.1632

Identification/Properties


Properties
MP:
20 °C(lit.)
BP:
85 °C0.1 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.4787 (estimate)
Computed Properties
Molecular Weight:
154.165g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
154.063g/mol
Monoisotopic Mass:
154.063g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
201
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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