1-(2-Benzofuranyl)-2-hydroxyethanone - CAS 111505-80-7

Catalog:	BB002770
Product Name:	1-(2-Benzofuranyl)-2-hydroxyethanone
CAS:	111505-80-7
Synonyms:	1-(2-benzofuranyl)-2-hydroxyethanone; 1-(1-benzofuran-2-yl)-2-hydroxyethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(1-benzofuran-2-yl)-2-hydroxyethanone
Description:	1-(2-Benzofuranyl)-2-hydroxyethanone (CAS# 111505-80-7 ) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C10H8O3
Canonical SMILES:	C1=CC=C2C(=C1)C=C(O2)C(=O)CO
InChI:	InChI=1S/C10H8O3/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,11H,6H2
InChI Key:	SDGXSRVTFQSLIS-UHFFFAOYSA-N
LogP:	1.60780

Publication Number	Title	Priority Date
CN-104177241-B	Alkynyl diketone compound and synthetic method thereof	20140623
KR-101286617-B1	Method for preparing ï¼»1,2,3ï¼½-oxathiazolidine-2,2-dioxide or ï¼»1,2,5ï¼½-thiadiazolidine-1,1-dioxide derivatives	20100621
KR-20110138600-A	Process for preparing [1,2,3] -oxathiazolidine-2,2-dioxide or [1,2,5] -thiadiazolidine-1,1-dioxide derivative	20100621
WO-2011162514-A2	Method for preparing [1,2,3]-oxathiazolidine-2,2-dioxide or [1,2,5]-thiadiazolidine-1,1-dioxide derivatives	20100621

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Related Functional Groups

Carbonyl Compounds

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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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7