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Home > Nitro Compounds > 80021-34-7
80021-34-7 | 6-(3-Nitrophenyl)picolinic acid
CAS No: 80021-34-7 Catalog No: AG0055GY MDL No:MFCD06410075
Product Description
Catalog Number:
AG0055GY
Chemical Name:
6-(3-Nitrophenyl)picolinic acid
CAS Number:
80021-34-7
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
MDL Number:
MFCD06410075
IUPAC Name:
6-(3-nitrophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H8N2O4/c15-12(16)11-6-2-5-10(13-11)8-3-1-4-9(7-8)14(17)18/h1-7H,(H,15,16)
InChI Key:
RZDPUNHNZGWZNV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cccc(n1)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:
2.2
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