AG00030I

100852-80-0 | 1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 3,5-diethyl ester

AG00030I

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CAS Number	100852-80-0
Catalog Number	AG00030I(AGN-PC-0D697D)
Chemical Name	1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 3,5-diethyl ester
IUPAC Name	diethyl 1-methylpyrazole-3,5-dicarboxylate
InChI	InChI=1S/C10H14N2O4/c1-4-15-9(13)7-6-8(12(3)11-7)10(14)16-5-2/h6H,4-5H2,1-3H3
InChI Key	WPKJUUKSWNCKPZ-UHFFFAOYSA-N
MDL Number	MFCD02253786
Molecular Formula	C10H14N2O4
Molecular Weight	226.2292
SMILES	CCOC(C1=NN(C)C(C(OCC)=O)=C1)=O
Synonyms	Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate, 100852-80-0, 3,5-diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate, diethyl 1-methylpyrazole-3,5-dicarboxylate, 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid diethyl ester, Pyrazole-3,5-dicarboxylic acid, 1-methyl-, diethyl ester-, 1H-Pyrazole-3,5-dicarboxylicacid, 1-methyl-, 3,5-diethyl ester, ethyl 3-(ethoxycarbonyl)-1-methylpyrazole-5-carboxylate, AC1LAPAB, ACMC-1BOY7, TimTec1_003325, SCHEMBL7698241, CTK3J9303, ZINC32357, DTXSID70333711, WPKJUUKSWNCKPZ-UHFFFAOYSA-N, HMS1543H03, ALBB-026416, CS-D0514, ZX-AN024928, MFCD02253786, SBB014487, STK301794, 1-methyl-3,5-diethoxycarbonylpyrazole, AKOS000304562, MCULE-3353428935, KS-0000085Y, AJ-08559, AK-55685, AS-34883, ST044521, ZB000924, R5693, EN300-227910, Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate #, BRD-K50436957-001-01-1, 1-methyl-1 h-pyrazole-3,5-dicarboxylic acid diethyl ester, 1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, diethyl ester, 1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 3,5-diethyl ester, 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid diethyl ester, AldrichCPR, CID517746, ZINC00032357,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.095g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.232g/mol
Monoisotopic Mass	226.095g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	70.4A^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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