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


Chemical Name: Propanoic acid, 2,3-dicyano-, ethyl ester
CAS Number: 40497-11-8
Product Number: AG0076Z4(AGN-PC-05IYN3)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O2
Molecular Weight: 152.1506

Identification/Properties


Computed Properties
Molecular Weight:
152.153g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
152.059g/mol
Monoisotopic Mass:
152.059g/mol
Topological Polar Surface Area:
73.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
229
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:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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