2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]-, (2E)-


Chemical Name: 2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]-, (2E)-
CAS Number: 133550-37-5
Product Number: AG003988(AGN-PC-0PK1G1)
Synonyms:
MDL No:
Molecular Formula: C18H16N2O3
Molecular Weight: 308.3312

Identification/Properties


Computed Properties
Molecular Weight:
308.337g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
308.116g/mol
Monoisotopic Mass:
308.116g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
488
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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


NMR Spectrum


Other Analytical Data


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