Methyl Benzofuran-2-carboxylate - CAS 1646-27-1

Catalog:	BB012127
Product Name:	Methyl Benzofuran-2-carboxylate
CAS:	1646-27-1
Synonyms:	2-benzofurancarboxylic acid methyl ester; methyl 1-benzofuran-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 1-benzofuran-2-carboxylate
Description:	Methyl Benzofuran-2-carboxylate (CAS# 1646-27-1) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C10H8O3
Canonical SMILES:	COC(=O)C1=CC2=CC=CC=C2O1
InChI:	InChI=1S/C10H8O3/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
InChI Key:	GIJIKNIHYNIDSJ-UHFFFAOYSA-N
Boiling Point:	257.7 °C at 760 mmHg
Density:	1.221 g/cm³
MDL:	MFCD01159618
LogP:	2.21940

Publication Number	Title	Priority Date
CN-111841896-A	Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof	20200806
CN-112341416-A	Method for preparing benzo oxygen-containing aliphatic heterocyclic derivative	20190809
CN-111742927-A	Azoxystrobin solvate and preparation method thereof	20190327
TW-202102485-A	Anthelmintic aza-benzothiophene and aza-benzofuran compounds	20190319
CN-111989311-A	Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines	20190122

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.047344113
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5