Ethyl 3-Cyanopyrrole-2-carboxylate - CAS 7126-44-5

Catalog:	BB034340
Product Name:	Ethyl 3-Cyanopyrrole-2-carboxylate
CAS:	7126-44-5
Synonyms:	3-cyano-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 3-cyano-1H-pyrrole-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 3-cyano-1H-pyrrole-2-carboxylate
Description:	Ethyl 3-Cyanopyrrole-2-carboxylate (CAS# 7126-44-5) is a useful research chemical compound.
Molecular Weight:	164.16
Molecular Formula:	C8H8N2O2
Canonical SMILES:	CCOC(=O)C1=C(C=CN1)C#N
InChI:	InChI=1S/C8H8N2O2/c1-2-12-8(11)7-6(5-9)3-4-10-7/h3-4,10H,2H2,1H3
InChI Key:	OSBMXQIJLZOLET-UHFFFAOYSA-N
Boiling Point:	361.6 °C at 760 mmHg
Density:	1.24 g/cm³
LogP:	1.06308

Publication Number	Title	Priority Date
AU-2018382422-A1	Pyrrole derivatives as ACC inhibitors	20171211
TW-201930265-A	Pyrrole derivatives as ACC inhibitors	20171211
WO-2019115405-A1	Pyrrole derivatives as acc inhibitors	20171211
AU-2018382422-B2	Pyrrole derivatives as ACC inhibitors	20171211
BR-112020005829-A2	pyrrole derivatives as acc inhibitors	20171211

PMID	Publication Date	Title	Journal
9057866	19970227	Synthesis and antiproliferative and antiviral activity of carbohydrate-modified pyrrolo[2,3-d]pyridazin-7-one nucleosides	Journal of medicinal chemistry

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Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.058577502
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1