AG001XMI

1678-52-0 | 3,4-Pyridinedicarboxylic acid, 3,4-diethyl ester

AG001XMI

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CAS Number	1678-52-0
Catalog Number	AG001XMI(AGN-PC-0JUSIA)
Chemical Name	3,4-Pyridinedicarboxylic acid, 3,4-diethyl ester
IUPAC Name	diethyl pyridine-3,4-dicarboxylate
InChI	InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-7-9(8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
InChI Key	SIOSRDUNOOIMCE-UHFFFAOYSA-N
MDL Number	MFCD00012349
Molecular Formula	C11H13NO4
Molecular Weight	223.2252
SMILES	C(=O)(OCC)c1c(C(=O)OCC)cncc1
Synonyms	diethyl pyridine-3,4-dicarboxylate, 1678-52-0, Diethyl 3,4-pyridinedicarboxylate, Cinchomeronic ester, Diethyl 3 4-Pyridinedicarboxylate, SIOSRDUNOOIMCE-UHFFFAOYSA-N, MFCD00012349, Diethyl 3,4-pyridinedicarboxylate, 97%, 3,4-Pyridinedicarboxylic acid, diethyl ester, ethyl 4-(ethoxycarbonyl)pyridine-3-carboxylate, AC1LDW0D, PYCB06, KSC532O9B, SCHEMBL3515887, CTK4D2790, KS-00000ZHG, ZINC39106, DTXSID20350251, 8561AA, ANW-72355, SBB006482, AKOS015892324, MCULE-1212440315, VP15107, AJ-08824, AK-41738, AN-49674, CJ-00240, ST055647, 3,4-Pyridinedicarboxylic acid diethyl ester, AX8208395, RT-002169, CS-0061580, Pyridine-3,4-dicarboxylic acid diethyl ester, 3,4-DIETHYL PYRIDINE-3,4-DICARBOXYLATE, 3,4-Pyridinedicarboxylicacid, 3,4-diethyl ester, 3,4-Pyridinedicarboxylic acid, 3,4-diethyl ester, 678C520, I02-6277, J-010400, C11H13NO4, Diethylpyridine-3,4-dicarboxylate, CID676160, ZINC00039106, ACN-040532,

Complexity	254
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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