Methyl 7-Methoxybenzofuran-2-carboxylate - CAS 59254-09-0

Catalog:	BB030314
Product Name:	Methyl 7-Methoxybenzofuran-2-carboxylate
CAS:	59254-09-0
Synonyms:	7-methoxy-2-benzofurancarboxylic acid methyl ester; methyl 7-methoxy-1-benzofuran-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 7-methoxy-1-benzofuran-2-carboxylate
Description:	Methyl 7-Methoxybenzofuran-2-carboxylate (CAS# 59254-09-0) is a useful research chemical.
Molecular Weight:	206.19
Molecular Formula:	C11H10O4
Canonical SMILES:	COC1=CC=CC2=C1OC(=C2)C(=O)OC
InChI:	InChI=1S/C11H10O4/c1-13-8-5-3-4-7-6-9(11(12)14-2)15-10(7)8/h3-6H,1-2H3
InChI Key:	RRRJHZIXAVRXTJ-UHFFFAOYSA-N
LogP:	2.22800

Publication Number	Title	Priority Date
US-2006084693-A1	Benzofuran oxyethylamines as antidepressants and anxiolytics	20030218
US-7425574-B2	Benzofuran oxyethylamines as antidepressants and anxiolytics	20030218
AU-4616000-A	Phenoxypropylamine compounds	19990524
AU-777594-B2	Phenoxypropylamine compounds	19990524
CA-2375008-C	Phenoxypropylamine compounds	19990524

PMID	Publication Date	Title	Journal
21522441	20110223	Ethyl 5-bromo-1-benzofuran-2-carboxyl-ate	Acta crystallographica. Section E, Structure reports online
15950225	20050601	Synthesis and structural characterization of derivatives of 2- and 3-benzo[b]furan carboxylic acids with potential cytotoxic activity	Farmaco (Societa chimica italiana : 1989)

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Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.0579088
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.0579088
Rotatable Bond Count:	3
Topological Polar Surface Area:	48.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5