Cyclohexanecarboxylic acid, 3-oxo-, methyl ester


Chemical Name: Cyclohexanecarboxylic acid, 3-oxo-, methyl ester
CAS Number: 13148-83-9
Product Number: AG000WA0(AGN-PC-05IWOQ)
Synonyms:
MDL No:
Molecular Formula: C8H12O3
Molecular Weight: 156.1791

Identification/Properties


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:
174
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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