1,4-Cyclohexanedione -


Chemical Name: 1,4-Cyclohexanedione -
CAS Number: 637-88-7
Product Number: AG0032MG(AGN-PC-0WAJE3)
Synonyms:
MDL No:
Molecular Formula: C6H8O2
Molecular Weight: 112.1265

Identification/Properties


Properties
MP:
77-78.5 °C(lit.)
BP:
226.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4570 (estimate)
Solubility:
Soluble in methanol and ethanol.
Computed Properties
Molecular Weight:
112.128g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
112.052g/mol
Monoisotopic Mass:
112.052g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
98.5
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


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