1,3-Cyclohexanedione, 5-phenyl-


Chemical Name: 1,3-Cyclohexanedione, 5-phenyl-
CAS Number: 493-72-1
Product Number: AG003MYA(AGN-PC-0JT1J3)
Synonyms:
MDL No:
Molecular Formula: C12H12O2
Molecular Weight: 188.2225

Identification/Properties


Properties
MP:
188 °C(lit.);
BP:
356.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6010 (estimate)
Computed Properties
Molecular Weight:
188.226g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
188.084g/mol
Monoisotopic Mass:
188.084g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
223
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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