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820245-79-2 | 3-[2-(4-Nitro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acrylic acid
CAS No: 820245-79-2 Catalog No: AG01EXJG MDL No:
Product Description
Catalog Number:
AG01EXJG
Chemical Name:
3-[2-(4-Nitro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acrylic acid
CAS Number:
820245-79-2
Molecular Formula:
C16H11N3O4
Molecular Weight:
309.2762
IUPAC Name:
(E)-3-[2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C16H11N3O4/c20-15(21)9-8-13-16(17-14-3-1-2-10-18(13)14)11-4-6-12(7-5-11)19(22)23/h1-10H,(H,20,21)/b9-8+
InChI Key:
PXUCWZWRFWCRQN-CMDGGOBGSA-N
SMILES:
OC(=O)/C=C/c1c(nc2n1cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
309.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.281g/mol
Monoisotopic Mass:
309.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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