AG00071Y

102268-15-5 | 2,3-Pyridinedicarboxylic acid, 5-ethyl-

AG00071Y

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CAS Number	102268-15-5
Catalog Number	AG00071Y(AGN-PC-0JLJ4O)
Chemical Name	2,3-Pyridinedicarboxylic acid, 5-ethyl-
IUPAC Name	5-ethylpyridine-2,3-dicarboxylic acid
InChI	InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
InChI Key	MTAVBTGOXNGCJR-UHFFFAOYSA-N
MDL Number	MFCD00071733
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	O=C(C1=NC=C(CC)C=C1C(O)=O)O
Synonyms	5-Ethylpyridine-2,3-dicarboxylic acid, 102268-15-5, 5-Ethylquinolinic acid, 2,3-Pyridinedicarboxylic acid, 5-ethyl-, 5-Ethyl-2,3-pyridinedicarboxylic acid, 5-Ethyl-2,3-pyridine dicarboxylic acid, CL 271,191, C-80185, MFCD00071733, 5-Ethylpyridine-2,3-dicarboxylicacid, PubChem16905, AC1L3DKQ, DSSTox_CID_9072, DSSTox_RID_78667, DSSTox_GSID_29072, KSC179A3D, TPC-PY108, SCHEMBL351540, Jsp000275, CHEMBL3185109, DTXSID8029072, CTK0H9031, MTAVBTGOXNGCJR-UHFFFAOYSA-N, ACMC-209817, ACT05499, BCP12471, KS-00000YQ1, ZINC2545270, Tox21_300682, ANW-14681, FCH918557, SBB065476, AKOS006230429, AC-7655, AM81292, AN-8810, MCULE-7437903521, RTR-000585, VP10633, 2,3-Pyridinedicarboxylicacid, 5-ethyl-, NCGC00248138-01, NCGC00254590-01, AJ-39283, AK-40477, AS-14918, N168, AX8103886, DB-016093, LS-131358, TR-000585, A1801, CAS-102268-15-5, E0887, FT-0620382, ST24033004, ST50825376, Y-9430, C-53446, 5-Ethyl-2,3-pyridinedicarboxylic acid, AldrichCPR, I02-1161, C9H9NO4, C9-H9-N-O4, CID113606, 5-METHYLPYRIDINE-2,3-DICARBOXYLIC ACID, 5-Ethylpyridine-2,3-dicarboxylic acid, 98% - 25G 25g, 53636-65-0,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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