Benzoic acid, 2-[[1-oxo-3-(4-pentylphenyl)-2-propenyl]amino]-


Chemical Name: Benzoic acid, 2-[[1-oxo-3-(4-pentylphenyl)-2-propenyl]amino]-
CAS Number: 110683-10-8
Product Number: AG0039NS(AGN-PC-0JK62U)
Synonyms:
MDL No:
Molecular Formula: C21H23NO3
Molecular Weight: 337.4122

Identification/Properties


Computed Properties
Molecular Weight:
337.419g/mol
XLogP3:
6.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
337.168g/mol
Monoisotopic Mass:
337.168g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
452
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

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NMR Spectrum


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