AG0033JU

499-81-0 | Pyridine-3,5-Dicarboxylic Acid

AG0033JU

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CAS Number	499-81-0
Catalog Number	AG0033JU(AGN-PC-0JK9IQ)
Chemical Name	Pyridine-3,5-Dicarboxylic Acid
EC Number	207-893-8
IUPAC Name	pyridine-3,5-dicarboxylic acid
InChI	InChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)
InChI Key	MPFLRYZEEAQMLQ-UHFFFAOYSA-N
MDL Number	MFCD00006393
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
NSC Number	6497
SMILES	O=C(C1=CC(C(O)=O)=CN=C1)O
Synonyms	3,5-pyridinedicarboxylic acid, Pyridine-3,5-dicarboxylic acid, 3,5-Pyridinedicarboxylic acid, 499-81-0, DINICOTINIC ACID, 5-Carboxynicotinic acid, 3,5-Pyridinedicarboxylicacid, MFCD00006393, NSC6497, CHEBI:46875, MPFLRYZEEAQMLQ-UHFFFAOYSA-N, NSC-6497, 3,5-Pyridinedicarboxylic acid, 98%, 3,5-pyridindicarbons, 3,5-Dipyridinecarboxylic acid, NSC 6497, EINECS 207-893-8, PubChem8057, ACMC-209kjb, AI3-52669, 5-carboxy nicotinic acid, AC1Q1GTE, pyridine carboxylate, 6f, AC1L1V1Q, NCIStruc1_000161, NCIStruc2_000049, TimTec1_000362, Oprea1_413127, SCHEMBL51830, KSC236Q5R, CHEMBL446761, BDBM26118, CTK1D6858, ZINC35806, DTXSID10198149, NCI6497, HMS1535A10, ACT01547, KS-000002GP, ANW-30885, CCG-37624, NCGC00013071, SBB065229, STK301573, AKOS000277471, AC-2844, CS-W002000, FG-0462, LS20276, MCULE-9805461276, RP22972, RTC-063857, TRA0144165, NCGC00013071-02, NCGC00013071-03, NCGC00096195-01, AJ-08634, AK-59859, AN-13582, BC220341, BP-12521, BR-59859, HC150017, L461, NCI60_017340, SC-04851, ST005584, SY003098, TL806162, AB0006613, AB1001518, DB-022121, ST2413733, TC-063857, AM20070057, FT-0084413, FT-0614745, P0551, MFCD00006393 (98%), 99P810, C-4811, Dinicotinic acid-3,5-pyridinedicarboxylic acid, AB00376196-04, SR-01000640386-1, W-105997, Z275127642, 3,5-Pyridinedicarboxylic acid, Vetec(TM) reagent grade, 98%, C7H5NO4, 2,6-Piperidinedicarboxylic acid, C7-H5-N-O4, CID10366, AR-1E9819, C25-H24-N2-O6, ACN-052708, A7430, 3,5-Pyridinedicarboxylic acid, 97.5% - 10G 10g, 102106-08-1, cis-Cinnamyl methyl 4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 3-phenyl-2-propenyl ester, (Z)-, 51898-99-8,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	167.12g/mol
Monoisotopic Mass	167.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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