Methyl 3-Hydroxybenzofuran-2-carboxylate - CAS 5117-55-5

Catalog:	BB027357
Product Name:	Methyl 3-Hydroxybenzofuran-2-carboxylate
CAS:	5117-55-5
Synonyms:	3-hydroxy-2-benzofurancarboxylic acid methyl ester; methyl 3-hydroxy-1-benzofuran-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-hydroxy-1-benzofuran-2-carboxylate
Description:	Methyl 3-Hydroxybenzofuran-2-carboxylate (CAS# 5117-55-5 ) is a useful research chemical.
Molecular Weight:	192.17
Molecular Formula:	C10H8O4
Canonical SMILES:	COC(=O)C1=C(C2=CC=CC=C2O1)O
InChI:	InChI=1S/C10H8O4/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H,1H3
InChI Key:	HOWXDNGXHMYIIK-UHFFFAOYSA-N
Boiling Point:	432.2 °C at 760 mmHg
Density:	1.306 g/cm³
MDL:	MFCD14281681
LogP:	1.92500

Publication Number	Title	Priority Date
WO-2020118036-A1	Antibacterial compounds and uses thereof	20181206
CN-108997254-A	The synthetic method of indeno oxadiazines compound	20180827
AU-2016336437-A1	Compounds, compositions, and methods for modulating CFTR	20151006
AU-2016336437-B2	Compounds, compositions, and methods for modulating CFTR	20151006
CA-3000483-A1	Compounds, compositions, and methods for modulating cftr	20151006

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.04225873
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7