2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)-,(2E)-


Chemical Name: 2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)-,(2E)-
CAS Number: 133550-34-2
Product Number: AG0080FZ(AGN-PC-0PK1F0)
Synonyms:
MDL No:
Molecular Formula: C19H18N2O3
Molecular Weight: 322.3578

Identification/Properties


Computed Properties
Molecular Weight:
322.364g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
322.132g/mol
Monoisotopic Mass:
322.132g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
488
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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