AG003PH7

4591-56-4 | Diethyl pyridine-3,5-dicarboxylate

AG003PH7

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CAS Number	4591-56-4
Catalog Number	AG003PH7(AGN-PC-0JLRAT)
Chemical Name	Diethyl pyridine-3,5-dicarboxylate
EC Number	224-982-7
IUPAC Name	diethyl pyridine-3,5-dicarboxylate
InChI	InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-9(7-12-6-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChI Key	PGGQCHVPWSXPSI-UHFFFAOYSA-N
MDL Number	MFCD00085755
Molecular Formula	C11H13NO4
Molecular Weight	223.2252
NSC Number	165814
SMILES	CCOC(=O)C1=CC(=CN=C1)C(=O)OCC
Synonyms	Diethyl pyridine-3,5-dicarboxylate, 4591-56-4, diethyl 3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, diethyl ester, pyridine-3,5-dicarboxylic acid diethyl ester, Pyridine-3,5-dicarboxylic diethyl ester, 3,5-Pyridinedicarboxylic Acid Diethyl Ester, EINECS 224-982-7, NSC165814, Maybridge3_003224, AC1L2V0L, Oprea1_765188, KSC497Q8T, 3,5-diethoxycarbonyl pyridine, SCHEMBL277284, CTK3J7889, DTXSID20196656, PGGQCHVPWSXPSI-UHFFFAOYSA-N, HMS1440C12, ZINC164436, Diethyl-3,5-pyridine dicarboxylate, KS-00000G1A, ANW-30366, MFCD00085755, SBB065585, AKOS015843520, CCG-250389, MCULE-4963159505, NSC-165814, RTC-063729, VP14902, IDI1_014611, 3,5-diethyl pyridine-3,5-dicarboxylate, AJ-16153, AK-87623, AS-15647, Q138, SC-19834, SY051285, ZB008140, AB0017425, DB-070696, TC-063729, D4596, FT-0625187, MFCD00085755 (97%), A-1997, A23966, ethyl 5-(ethoxycarbonyl)pyridine-3-carboxylate, 591D564, AE-641/00012053, I02-1591, C11H13NO4, CID78340, C11-H13-N-O4, Diethyl pyridine-3,5-dicarboxylate, 96% 1g, 3,5-Pyridinedicarboxylic acid, 3,5-diethyl ester,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.228g/mol
Monoisotopic Mass	223.084g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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