Diethyl 3,4-pyrroledicarboxylate - CAS 41969-71-5

Catalog:	BB025002
Product Name:	Diethyl 3,4-pyrroledicarboxylate
CAS:	41969-71-5
Synonyms:	diethyl 1H-pyrrole-3,4-dicarboxylate

Technical Data

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Computed Properties

IUPAC Name:	diethyl 1H-pyrrole-3,4-dicarboxylate
Description:	Diethyl 3,4-pyrroledicarboxylate (CAS# 41969-71-5) is a useful research chemical.
Molecular Weight:	211.21
Molecular Formula:	C10H13NO4
Canonical SMILES:	CCOC(=O)C1=CNC=C1C(=O)OCC
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
Boiling Point:	373.5 °C at 760 mmHg
Density:	1.196 g/cm³
Appearance:	White to yellow solid
MDL:	MFCD00192033
LogP:	1.36810

Publication Number	Title	Priority Date
CN-112759686-A	Catalyst for improving processability of ultrahigh molecular weight polyethylene, preparation and application	20210119
KR-101546309-B1	polymer material used as electron donor in the photoactive layer of polymer solar cell and manufacturing method thereof	20140711
AU-2014351413-A1	Pyrrolopyrrolone derivatives and their use as BET inhibitors	20131121
AU-2014351413-B2	Pyrrolopyrrolone derivatives and their use as BET inhibitors	20131121
CA-2931249-A1	Pyrrolopyrrolone derivatives and their use as bet inhibitors	20131121

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.08445790
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.08445790
Rotatable Bond Count:	6
Topological Polar Surface Area:	68.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1