Ethyl 4-Acetoxybenzofuran-6-carboxylate - CAS 494868-92-7

Catalog:	BB026713
Product Name:	Ethyl 4-Acetoxybenzofuran-6-carboxylate
CAS:	494868-92-7
Synonyms:	4-acetyloxy-6-benzofurancarboxylic acid ethyl ester; ethyl 4-acetyloxy-1-benzofuran-6-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-acetyloxy-1-benzofuran-6-carboxylate
Description:	Ethyl 4-Acetoxybenzofuran-6-carboxylate (CAS# 494868-92-7 ) is a useful research chemical.
Molecular Weight:	248.23
Molecular Formula:	C13H12O5
Canonical SMILES:	CCOC(=O)C1=CC2=C(C=CO2)C(=C1)OC(=O)C
InChI:	InChI=1S/C13H12O5/c1-3-16-13(15)9-6-11-10(4-5-17-11)12(7-9)18-8(2)14/h4-7H,3H2,1-2H3
InChI Key:	LTRZBEORJCTYEO-UHFFFAOYSA-N
LogP:	2.53480

Publication Number	Title	Priority Date
TW-202010742-A	Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors	20180406
US-2019345135-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
WO-2019195720-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
AU-2019247471-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
EP-3687506-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406

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Complexity:	327
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.06847348
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.06847348
Rotatable Bond Count:	5
Topological Polar Surface Area:	65.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3