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Home > Nitro Compounds > 1262005-41-3
1262005-41-3 | 2-Hydroxy-5-(3-nitrophenyl)nicotinic acid
CAS No: 1262005-41-3 Catalog No: AG00HR36 MDL No:MFCD18317416
Product Description
Catalog Number:
AG00HR36
Chemical Name:
2-Hydroxy-5-(3-nitrophenyl)nicotinic acid
CAS Number:
1262005-41-3
Molecular Formula:
C12H8N2O5
Molecular Weight:
260.2023
MDL Number:
MFCD18317416
IUPAC Name:
5-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8N2O5/c15-11-10(12(16)17)5-8(6-13-11)7-2-1-3-9(4-7)14(18)19/h1-6H,(H,13,15)(H,16,17)
InChI Key:
ZCQBMPYKKVZNSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cnc1O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.205g/mol
Monoisotopic Mass:
260.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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