AG00HALB

105151-39-1 | 2,3-Pyridinedicarboxylic acid, 5-ethyl-, diethyl ester

AG00HALB

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CAS Number	105151-39-1
Catalog Number	AG00HALB(AGN-PC-0NBQZL)
Chemical Name	2,3-Pyridinedicarboxylic acid, 5-ethyl-, diethyl ester
IUPAC Name	diethyl 5-ethylpyridine-2,3-dicarboxylate
InChI	InChI=1S/C13H17NO4/c1-4-9-7-10(12(15)17-5-2)11(14-8-9)13(16)18-6-3/h7-8H,4-6H2,1-3H3
InChI Key	VSPXTWXXNZJEHM-UHFFFAOYSA-N
MDL Number	MFCD06658212
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
SMILES	O=C(C1=NC=C(CC)C=C1C(OCC)=O)OCC
Synonyms	105151-39-1, 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester, Diethyl 5-ethylpyridine-2,3-dicarboxylate, 2,3-Pyridinedicarboxylicacid, 5-ethyl-, 2,3-diethyl ester, 5-Ethyl-Pyridine-2,3-Dicarboxylic Acid Diethyl Ester, ethyl 2-(ethoxycarbonyl)-5-ethylpyridine-3-carboxylate, Imazethapyr Impurity, PubChem2425, ACMC-1C8OY, 5-Ethylpyridine-2,3-dicarboxylicaciddiethylester, TPC-PY075, SCHEMBL6559833, CTK4A3627, KS-00003SSN, DTXSID70446158, VSPXTWXXNZJEHM-UHFFFAOYSA-N, ACT05501, BCP14260, MFCD06658212, SBB053809, ZINC20357987, 5-ethyl-2,3-diethoxycarbonylpyridine, AKOS015891510, ACN-051114, MCULE-3048502208, AJ-77220, AN-33999, CC-21723, HC150256, SC-00213, TS-00788, DB-040590, FT-0642581, ST50949714, 151E391, C-15506, 5-Ethyl-2,3-pyridinedicarboxylic acid diethyl ester, I02-0504, 2,3-DIETHYL 5-ETHYLPYRIDINE-2,3-DICARBOXYLATE, 2,3-Pyridinedicarboxylic acid, 5-ethyl-, diethyl ester, 5-ETHYLPYRIDINE-2,3-DICARBOXYLIC ACID DIETHYL ESTE, 5-ETHYL -PAYIDINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER, C13H17NO4, CID10857926, A1972,

Complexity	293
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	7
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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