Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester


Chemical Name: Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester
CAS Number: 1655-07-8
Product Number: AG001W6P(AGN-PC-0BW46A)
Synonyms:
MDL No:
Molecular Formula: C9H14O3
Molecular Weight: 170.2057

Identification/Properties


Properties
BP:
230°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.477(lit.)
Computed Properties
Molecular Weight:
170.208g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
170.094g/mol
Monoisotopic Mass:
170.094g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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