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887976-00-3 | 3-Pyridinecarboxylicacid, 6-(3-nitrophenyl)-
CAS No: 887976-00-3 Catalog No: AG004CT9 MDL No:
Product Description
Catalog Number:
AG004CT9
Chemical Name:
3-Pyridinecarboxylicacid, 6-(3-nitrophenyl)-
CAS Number:
887976-00-3
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
IUPAC Name:
6-(3-nitrophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8N2O4/c15-12(16)9-4-5-11(13-7-9)8-2-1-3-10(6-8)14(17)18/h1-7H,(H,15,16)
InChI Key:
QSABSMZRFLSDMP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccc(cn1)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.206g/mol
Monoisotopic Mass:
244.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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