2-Propenoic acid, 2-cyano-3-(3-methoxyphenyl)-


Chemical Name: 2-Propenoic acid, 2-cyano-3-(3-methoxyphenyl)-
CAS Number: 126058-00-2
Product Number: AG000QUZ(AGN-PC-0JQJN6)
Synonyms:
MDL No: MFCD04612082
Molecular Formula: C11H9NO3
Molecular Weight: 203.1941

Identification/Properties


Computed Properties
Molecular Weight:
203.197g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
203.058g/mol
Monoisotopic Mass:
203.058g/mol
Topological Polar Surface Area:
70.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
313
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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