AG000FFE

1149-24-2 | 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-diethyl ester

AG000FFE

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CAS Number	1149-24-2
Catalog Number	AG000FFE(AGN-PC-0JOIZL)
Chemical Name	3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-diethyl ester
IUPAC Name	diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
InChI	InChI=1S/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3
InChI Key	DIIWSYPKAJVXBV-UHFFFAOYSA-N
MDL Number	MFCD00023506
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
NSC Number	58515
SMILES	O=C(C1=CC(C(OCC)=O)=C(C)N=C1C)OCC
Synonyms	1149-24-2, Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate, Diethyl 2,6-dimethyl-3,5-pyridinedicarboxylate, 3,5-Diethoxycarbonyl-2,6-dimethylpyridine, 2,6-Dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester, DIIWSYPKAJVXBV-UHFFFAOYSA-N, AK-56616, 3,5-diethyl 2,6-dimethylpyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, diethyl ester, 3,5-Pyridinedicarboxylicacid, 2,6-dimethyl-, 3,5-diethyl ester, NSC58515, ACMC-1BUR3, Diethyl2,6-dimethyl-3,5-pyridinedicarboxylate, AC1Q64FF, TimTec1_004409, NCIOpen2_002827, Oprea1_149339, AC1L6H33, SCHEMBL2301745, CTK4A8977, ZINC50843, DTXSID70289002, HMS1546I09, ALBB-019903, ZX-AN035597, 9522AC, MFCD00023506, NSC-58515, SBB058757, STK385047, AKOS000266334, CCG-104191, MCULE-5330844448, VP14901, KS-00000G18, AJ-09113, BAS 00415384, SC-94474, ZB001500, 2,6-dimethyl-3,5-diethoxycarbonylpyridine, AX8124573, DB-041239, TC-167222, 4CH-024997, FT-0633404, ST24046529, 2F-933, A803271, AE-641/00368009, Diethyl 2,6-dimethyl-3,5-pyridinedicarboxylate #, SR-01000403105, J-003158, S02-0188, SR-01000403105-1, BRD-K24347865-001-02-2, Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate, 99%, Z56871550, 2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl ester, 2,6-Dimethyl-3,5-pyridinedicarboxylic acid diethyl ester, A1041/0048804, ethyl 5-(ethoxycarbonyl)-2,6-dimethylpyridine-3-carboxylate, 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-, 3,5-diethyl ester, InChI=1/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H, C13H17NO4, AR-1E9635, CID245983, 132185-31-0,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.116g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.282g/mol
Monoisotopic Mass	251.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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