AG0006HB

1020635-54-4 | 3-Pyridinecarboxylic acid, 2-methoxy-5-nitro-

AG0006HB

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CAS Number	1020635-54-4
Catalog Number	AG0006HB(AGN-PC-02Y4E1)
Chemical Name	3-Pyridinecarboxylic acid, 2-methoxy-5-nitro-
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
MDL Number	MFCD11052413
Molecular Formula	C7H6N2O5
Molecular Weight	198.1329
SMILES	O=C(O)C1=C(OC)N=CC([N+]([O-])=O)=C1
Synonyms	1020635-54-4, 2-Methoxy-5-nitro-nicotinic acid, 2-Methoxy-5-nitronicotinic acid, 2-methoxy-5-nitropyridine-3-carboxylic acid, SCHEMBL3318266, CTK7B2130, KS-00003GVQ, DTXSID10609462, CKKHQPBRBNOKAQ-UHFFFAOYSA-N, ANW-59014, MFCD11052413, SBB092254, ZINC43220537, AKOS006309487, AB63043, AS-5144, AK-51190, AJ-108515, RT-024616, TR-072099, CS-0043372, Y3215, 2-Methoxy-5-nitronicotinicacid, C7H6N2O5,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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