AG00742S

41969-71-5 | Diethyl 3,4-Pyrroledicarboxylate

AG00742S

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CAS Number	41969-71-5
Catalog Number	AG00742S(AGN-PC-0JUYL3)
Chemical Name	Diethyl 3,4-Pyrroledicarboxylate
IUPAC Name	diethyl 1H-pyrrole-3,4-dicarboxylate
InChI	InChI=1S/C10H13NO4/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2/h5-6,11H,3-4H2,1-2H3
InChI Key	QKXBVVVYILIRDO-UHFFFAOYSA-N
MDL Number	MFCD00192033
Molecular Formula	C10H13NO4
Molecular Weight	211.2145
SMILES	CCOC(=O)c1c[nH]cc1C(=O)OCC
Synonyms	Diethyl 3,4-pyrroledicarboxylate, 41969-71-5, diethyl 1H-pyrrole-3,4-dicarboxylate, 1H-pyrrole-3,4-dicarboxylic acid diethyl ester, 3,4-diethyl 1H-pyrrole-3,4-dicarboxylate, AC1LELK0, AC1Q34CA, SCHEMBL4045529, CTK1D4989, Diethyl-3,4-pyrroledicarboxylate, ZINC56872, DTXSID90350829, QKXBVVVYILIRDO-UHFFFAOYSA-N, Diethyl pyrrole-3,4-dicarboxylate, MFCD00192033, AKOS015898337, Diethyl 3,4-pyrroledicarboxylate, 98%, AS-39139, ZB001866, I11-1144, CID688199, ZINC00056872, 1H-Pyrrole-3,4-dicarboxylic acid, 3,4-diethyl ester,

Complexity	218
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	1.1

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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