Methyl 4-Acetoxy-2-methylbenzofuran-6-carboxylate - CAS 37978-61-3

Name: Methyl 4-Acetoxy-2-methylbenzofuran-6-carboxylate
Brand: BOC Sciences
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Catalog:	BB023479
Product Name:	Methyl 4-Acetoxy-2-methylbenzofuran-6-carboxylate
CAS:	37978-61-3
Synonyms:	4-acetyloxy-2-methyl-6-benzofurancarboxylic acid methyl ester; methyl 4-acetyloxy-2-methyl-1-benzofuran-6-carboxylate

Technical Data

IUPAC Name:	methyl 4-acetyloxy-2-methyl-1-benzofuran-6-carboxylate
Description:	Methyl 4-Acetoxy-2-methylbenzofuran-6-carboxylate (CAS# 37978-61-3) is a useful research chemical compound.
Molecular Weight:	248.23
Molecular Formula:	C13H12O5
Canonical SMILES:	CC1=CC2=C(O1)C=C(C=C2OC(=O)C)C(=O)OC
InChI:	InChI=1S/C13H12O5/c1-7-4-10-11(17-7)5-9(13(15)16-3)6-12(10)18-8(2)14/h4-6H,1-3H3
InChI Key:	RYKAHKWLZNRCOG-UHFFFAOYSA-N
Boiling Point:	373.171 °C at 760 mmHg
Density:	1.252 g/cm³
LogP:	2.45310

Publication Number	Title	Priority Date
DE-60317562-T2	BENZOFURANDERIVATE, METHOD FOR THE PRODUCTION AND INTERMEDIATE PRODUCTS THEREOF	20021119
EP-1578745-A1	Benzofuran derivates, process for their preparation and intermediates thereof	20021119
EP-1578745-B1	BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF	20021119
ES-2293045-T3	DERIVATIVES OF BENZOFURAN, PROCEDURE FOR THEIR PREPARATION, AND INTERMEDIATES OF THE SAME.	20021119
JP-2006509749-A	Benzofuran derivatives, process for producing the same, and intermediates thereof	20021119

Complexity:	340
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:	4
Topological Polar Surface Area:	65.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3