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727652-25-7 | 3-[7-Methyl-2-(3-nitro-phenyl)-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS No: 727652-25-7 Catalog No: AG01EX5H MDL No:
Product Description
Catalog Number:
AG01EX5H
Chemical Name:
3-[7-Methyl-2-(3-nitro-phenyl)-imidazo[1,2-a]-pyridin-3-yl]-acrylic acid
CAS Number:
727652-25-7
Molecular Formula:
C17H13N3O4
Molecular Weight:
323.3028
IUPAC Name:
(E)-3-[7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C17H13N3O4/c1-11-7-8-19-14(5-6-16(21)22)17(18-15(19)9-11)12-3-2-4-13(10-12)20(23)24/h2-10H,1H3,(H,21,22)/b6-5+
InChI Key:
XXQSKAYULZKBNL-AATRIKPKSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1ccc(c2)C)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
323.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.308g/mol
Monoisotopic Mass:
323.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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