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33560-99-5 | 2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enoic acid
CAS No: 33560-99-5 Catalog No: AG01AHWU MDL No:MFCD00416237
Product Description
Catalog Number:
AG01AHWU
Chemical Name:
2-(phenylformamido)-3-(pyridin-3-yl)prop-2-enoic acid
CAS Number:
33560-99-5
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
MDL Number:
MFCD00416237
IUPAC Name:
2-benzamido-3-pyridin-3-ylprop-2-enoic acid
InChI:
InChI=1S/C15H12N2O3/c18-14(12-6-2-1-3-7-12)17-13(15(19)20)9-11-5-4-8-16-10-11/h1-10H,(H,17,18)(H,19,20)
InChI Key:
ZGESMGHIJHPTEJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=Cc1cccnc1)NC(=O)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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