3-(4-benzoyl-1-methylpyrrol-2-yl)prop-2-enoic acid


Chemical Name: 3-(4-benzoyl-1-methylpyrrol-2-yl)prop-2-enoic acid
CAS Number: 128843-46-9
Product Number: AG000YEU(AGN-PC-0KKPGB)
Synonyms:
MDL No:
Molecular Formula: C15H13NO3
Molecular Weight: 255.2686

Identification/Properties


Computed Properties
Molecular Weight:
255.273g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
255.09g/mol
Monoisotopic Mass:
255.09g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
372
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


NMR Spectrum


Other Analytical Data


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