Butanoic acid, 2-cyano-, ethyl ester


Chemical Name: Butanoic acid, 2-cyano-, ethyl ester
CAS Number: 1619-58-5
Product Number: AG00AC6P(AGN-PC-05RCXR)
Synonyms:
MDL No:
Molecular Formula: C7H11NO2
Molecular Weight: 141.1677

Identification/Properties


Properties
BP:
201.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.4170
Computed Properties
Molecular Weight:
141.17g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
141.079g/mol
Monoisotopic Mass:
141.079g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
156
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


NMR Spectrum


Other Analytical Data


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