2-Propenoic acid, 3-(4-cyanophenyl)-


Chemical Name: 2-Propenoic acid, 3-(4-cyanophenyl)-
CAS Number: 18664-39-6
Product Number: AG00AOJ9(AGN-PC-0JLWEB)
Synonyms:
MDL No:
Molecular Formula: C10H7NO2
Molecular Weight: 173.16808

Identification/Properties


Computed Properties
Molecular Weight:
173.171g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
173.048g/mol
Monoisotopic Mass:
173.048g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
253
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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