Butanoic acid, 2,3-dicyano-,ethyl ester


Chemical Name: Butanoic acid, 2,3-dicyano-,ethyl ester
CAS Number: 13121-23-8
Product Number: AG01AL2U(AGN-PC-0WAL9C)
Synonyms:
MDL No:
Molecular Formula: C8H10N2O2
Molecular Weight: 166.1772

Identification/Properties


Computed Properties
Molecular Weight:
166.18g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
166.074g/mol
Monoisotopic Mass:
166.074g/mol
Topological Polar Surface Area:
73.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
255
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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