Butanoic acid, 2-cyano-4,4-diethoxy-, ethyl ester


Chemical Name: Butanoic acid, 2-cyano-4,4-diethoxy-, ethyl ester
CAS Number: 52133-67-2
Product Number: AG00I9BR(AGN-PC-05W1ZY)
Synonyms:
MDL No:
Molecular Formula: C11H19NO4
Molecular Weight: 229.2729

Identification/Properties


Properties
BP:
335.2°C at 760 mmHg
Storage:
2-8℃;Keep in dry area;
Form:
Liquid
Computed Properties
Molecular Weight:
229.276g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
9
Exact Mass:
229.131g/mol
Monoisotopic Mass:
229.131g/mol
Topological Polar Surface Area:
68.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
240
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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