Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), potassium


Chemical Name: Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), potassium
CAS Number: 92664-05-6
Product Number: AG00GTVY(AGN-PC-0W0MGK)
Synonyms:
MDL No:
Molecular Formula: C6H6KNO3
Molecular Weight: 179.2150

Identification/Properties


Computed Properties
Molecular Weight:
179.216g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
178.998g/mol
Monoisotopic Mass:
178.998g/mol
Topological Polar Surface Area:
67.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
193
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:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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