2-Propenoic acid, 2-cyano-3-(4-nitrophenyl)-, ethyl ester


Chemical Name: 2-Propenoic acid, 2-cyano-3-(4-nitrophenyl)-, ethyl ester
CAS Number: 2286-33-1
Product Number: AG00BQDG(AGN-PC-0JQJCW)
Synonyms:
MDL No:
Molecular Formula: C12H10N2O4
Molecular Weight: 246.2188

Identification/Properties


Computed Properties
Molecular Weight:
246.22g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
246.064057g/mol
Monoisotopic Mass:
246.064057g/mol
Topological Polar Surface Area:
95.9Ų
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
394
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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