AG0078DH

37687-26-6 | Diethyl 1H-Pyrazole-3,4-Dicarboxylate

AG0078DH

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CAS Number	37687-26-6
Catalog Number	AG0078DH(AGN-PC-0O9HQZ)
Chemical Name	Diethyl 1H-Pyrazole-3,4-Dicarboxylate
IUPAC Name	diethyl 1H-pyrazole-4,5-dicarboxylate
InChI	InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-10-11-7(6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key	VZKOLHTYHOVCKT-UHFFFAOYSA-N
MDL Number	MFCD19981982
Molecular Formula	C9H12N2O4
Molecular Weight	212.2026
SMILES	O=C(C1=NNC=C1C(OCC)=O)OCC
Synonyms	37687-26-6, Diethyl 1H-pyrazole-3,4-dicarboxylate, diethyl 1H-pyrazole-4,5-dicarboxylate, 1H-Pyrazole-3,4-dicarboxylic acid diethyl ester, 1H-Pyrazole-3,4-dicarboxylic acid, diethyl ester, 1H-Pyrazole-3,4-dicarboxylicacid,3,4-diethylester, AMOT0317, SCHEMBL1458672, CTK1A9415, DTXSID00561080, VZKOLHTYHOVCKT-UHFFFAOYSA-N, KS-00000SF4, 9869AH, MFCD27943817, ZINC34307124, AKOS032955076, AM85748, DS-9018, NE63160, AJ-87907, AK157226, SC-82313, AX8291349, 3,4-diethyl 1H-pyrazole-3,4-dicarboxylate, 1H-Pyrazole-4,5-dicarboxylic acid diethyl ester, 2H-Pyrazole-3,4-dicarboxylic acid diethyl ester, 1H-Pyrazole-4,5-dicarboxylic acid, 4,5-diethyl ester, 1335299-74-5, C9H12N2O4, 477254-69-6,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.08g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.205g/mol
Monoisotopic Mass	212.08g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	81.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

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