Butanoic acid, 2-cyano-3-oxo-, ethyl ester


Chemical Name: Butanoic acid, 2-cyano-3-oxo-, ethyl ester
CAS Number: 634-55-9
Product Number: AG00E8MO(AGN-PC-0JMOVJ)
Synonyms:
MDL No:
Molecular Formula: C7H9NO3
Molecular Weight: 155.1513

Identification/Properties


Properties
BP:
220.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
155.153g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
155.058g/mol
Monoisotopic Mass:
155.058g/mol
Topological Polar Surface Area:
67.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
213
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:
Danger
UN#:
3276
Hazard Statements:
H301-H311-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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