Cyclohexanecarboxylic acid, 4-oxo-, methyl ester


Chemical Name: Cyclohexanecarboxylic acid, 4-oxo-, methyl ester
CAS Number: 6297-22-9
Product Number: AG00E9C2(AGN-PC-0JO69L)
Synonyms:
MDL No:
Molecular Formula: C8H12O3
Molecular Weight: 156.1791

Identification/Properties


Properties
BP:
230.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
156.181g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
156.079g/mol
Monoisotopic Mass:
156.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
164
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:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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