AG003JTE

59290-82-3 | 3-Nitroisonicotinic acid

AG003JTE

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CAS Number	59290-82-3
Catalog Number	AG003JTE(AGN-PC-0KKP67)
Chemical Name	3-Nitroisonicotinic acid
IUPAC Name	3-nitropyridine-4-carboxylic acid
InChI	InChI=1S/C6H4N2O4/c9-6(10)4-1-2-7-3-5(4)8(11)12/h1-3H,(H,9,10)
InChI Key	YKPIUHZVTZWEEW-UHFFFAOYSA-N
MDL Number	MFCD04114244
Molecular Formula	C6H4N2O4
Molecular Weight	168.1070
SMILES	[N+](=O)([O-])C1=C(C(=O)O)C=CN=C1
Synonyms	3-nitroisonicotinic acid, 59290-82-3, 3-nitropyridine-4-carboxylic Acid, 3-Nitro-isonicotinic acid, 3-NitroisonicotinicAcid, 3-Nitro-4-pyridinecarboxylic acid, 4-Pyridinecarboxylic acid, 3-nitro-, MFCD04114244, AK-27210, nitroisonicotinic acid, PubChem9763, AC1MC7JU, SCHEMBL1231890, CTK1G9096, KS-00000CUR, DTXSID80376578, YKPIUHZVTZWEEW-UHFFFAOYSA-N, WT658, 4-Pyridinecarboxylicacid, 3-nitro-, ZINC2599068, ZX-AT019153, ANW-50135, FCH835846, HT1058, SBB053031, AKOS006280973, CS-W003167, OR16446, PB26123, QC-4378, RP02549, TRA0170707, 59290-82-3 3-nitroisonicotinic acid, AJ-43851, AN-39614, AS-18652, BR-27210, SC-05588, SY022682, AB0004488, AX8088568, DB-031402, ST2417823, TR-020575, 4CH-000940, AM20061363, FT-0646803, X0104, S-4232, MFCD04114244 (97+%), 290N823, I02-0428, J-512974, C6H4N2O4, CID2762924, A8337, 3-Nitropyridine-4-carboxylic acid, 97% 250mg, 3-Nitro-4-pyridinecarboxylic acid, 97% - 1G 1g,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.017g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.108g/mol
Monoisotopic Mass	168.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	96A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number