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1020635-54-4 | 3-Pyridinecarboxylic acid, 2-methoxy-5-nitro-
CAS No: 1020635-54-4 Catalog No: AG0006HB MDL No:MFCD11052413
Product Description
Catalog Number:
AG0006HB
Chemical Name:
3-Pyridinecarboxylic acid, 2-methoxy-5-nitro-
CAS Number:
1020635-54-4
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD11052413
IUPAC Name:
2-methoxy-5-nitropyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6N2O5/c1-14-6-5(7(10)11)2-4(3-8-6)9(12)13/h2-3H,1H3,(H,10,11)
InChI Key:
CKKHQPBRBNOKAQ-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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