AG0029NP

2047-49-6 | 3-Pyridinecarboxylic acid, 5-nitro-

AG0029NP

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CAS Number	2047-49-6
Catalog Number	AG0029NP(AGN-PC-0K6A4G)
Chemical Name	3-Pyridinecarboxylic acid, 5-nitro-
IUPAC Name	5-nitropyridine-3-carboxylic acid
InChI	InChI=1S/C6H4N2O4/c9-6(10)4-1-5(8(11)12)3-7-2-4/h1-3H,(H,9,10)
InChI Key	TZAGBVHIUUFVCJ-UHFFFAOYSA-N
MDL Number	MFCD04038690
Molecular Formula	C6H4N2O4
Molecular Weight	168.1070
SMILES	O=C(O)C1=CN=CC([N+]([O-])=O)=C1
Synonyms	5-NITRONICOTINIC ACID, 2047-49-6, 5-nitropyridine-3-carboxylic Acid, 5-Nitronicotinicacid, 3-Pyridinecarboxylic acid, 5-nitro-, 5-Nitro-3-pyridinecarboxylic acid, 3-Carboxy-5-nitropyridine, CHEMBL3617322, AK-25570, W-206518, 5-Nitro-nicotinic acid, ACMC-209fap, AC1LTT9U, SCHEMBL940807, AMPD00204, CTK1A1411, DTXSID20363846, TZAGBVHIUUFVCJ-UHFFFAOYSA-N, 3-Pyridinecarboxylicacid, 5-nitro-, KS-00000NH0, ZINC1436100, ZX-AT004068, ANW-24095, BDBM50122016, CN-014, FCH921049, MFCD04038690, OR8897, SBB065283, AKOS005199247, AB17149, ACM2047496, GS-6247, QC-6683, RP02545, AC-27370, AJ-25972, AN-17301, BL002482, CC-22124, SC-17042, 5-NITROPYRIDIN-3-YLCARBOXYLIC ACID, AB0031181, AX8008427, DB-045237, ST2418843, TR-009554, 4CH-015462, AM20050928, BB 0246833, CS-0030489, FT-0634000, X4175, B-7770, N30100, 047N496, C-04974, I02-0612, 5-nitropyridine-3-carboxylic acid, 3-carboxy-5-nitropyridine, 1-2 weeks, C6H4N2O4, ACN-032220, CID1514301, 5-Nitronicotinic acid, 95% - 1G 1g, A4454,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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