AG00DK0L

55942-40-0 | Diethyl 1H-pyrrole-2,4-dicarboxylate

AG00DK0L

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CAS Number	55942-40-0
Catalog Number	AG00DK0L(AGN-PC-0NJZN6)
Chemical Name	Diethyl 1H-pyrrole-2,4-dicarboxylate
IUPAC Name	diethyl 1H-pyrrole-2,4-dicarboxylate
InChI	InChI=1S/C10H13NO4/c1-3-14-9(12)7-5-8(11-6-7)10(13)15-4-2/h5-6,11H,3-4H2,1-2H3
InChI Key	SQDULIUHZHMBIC-UHFFFAOYSA-N
MDL Number	MFCD11977148
Molecular Formula	C10H13NO4
Molecular Weight	211.2145
SMILES	O=C(C1=CC(C(OCC)=O)=CN1)OCC
Synonyms	DIETHYL 1H-PYRROLE-2,4-DICARBOXYLATE, 55942-40-0, 2,4-diethyl 1H-pyrrole-2,4-dicarboxylate, 2,4-dicarboethoxypyrrole, SCHEMBL2518047, DTXSID30507678, diethyl pyrrole-2,4-dicarboxylate, SQDULIUHZHMBIC-UHFFFAOYSA-N, KS-000006QC, Diethyl1H-pyrrole-2,4-dicarboxylate, MFCD11977148, ZINC39271253, AKOS022182805, PB23955, AJ-99549, AK-76153, AS-38702, AB0078113, AX8220750, CS-0052151, FT-0732835, 1H-pyrrole-2,4-dicarboxylic acid diethyl ester, Q-1338,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.084g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.217g/mol
Monoisotopic Mass	211.084g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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