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122433-50-5 | 3-Pyridinecarboxylic acid, 2-methoxy-5-nitro-, methyl ester
CAS No: 122433-50-5 Catalog No: AG00177W MDL No:MFCD18382764
Product Description
Catalog Number:
AG00177W
Chemical Name:
3-Pyridinecarboxylic acid, 2-methoxy-5-nitro-, methyl ester
CAS Number:
122433-50-5
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
MDL Number:
MFCD18382764
IUPAC Name:
methyl 2-methoxy-5-nitropyridine-3-carboxylate
InChI:
InChI=1S/C8H8N2O5/c1-14-7-6(8(11)15-2)3-5(4-9-7)10(12)13/h3-4H,1-2H3
InChI Key:
DMKVLUGRWNKURX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cnc1OC)[N+](=O)[O-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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