1-(2-Furyl)-2-hydroxyethanone - CAS 17678-19-2

Catalog:	BB013248
Product Name:	1-(2-Furyl)-2-hydroxyethanone
CAS:	17678-19-2
Synonyms:	1-(2-furanyl)-2-hydroxyethanone; 1-(furan-2-yl)-2-hydroxyethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(furan-2-yl)-2-hydroxyethanone
Description:	1-(2-Furyl)-2-hydroxyethanone (CAS# 17678-19-2) is a reagent in the preparation of 3-iodocoumarins. Also used in the preparation of quinoxalines generally used in dyes and pharmaceuticals.
Molecular Weight:	126.11
Molecular Formula:	C6H6O3
Canonical SMILES:	C1=COC(=C1)C(=O)CO
InChI:	InChI=1S/C6H6O3/c7-4-5(8)6-2-1-3-9-6/h1-3,7H,4H2
InChI Key:	RSZZMVPSHLKFQY-UHFFFAOYSA-N
LogP:	0.45460

Publication Number	Title	Priority Date
CN-111579736-A	Method for controlling processing production degree and evaluating quality of gardenia jasminoides ellis	20200520
US-10836729-B1	Metabolically stable 5-HMF derivatives for the treatment of hypoxia	20200504
US-11033044-B1	Rapidly cooling food and drinks	20200115
WO-2021123240-A1	Process for the synthesis of 2,5-furandicarboxylic acid	20191220
US-2021178010-A1	Bioactive wound dressing	20191216

PMID	Publication Date	Title	Journal
21820105	20111018	Direct conversion of cellulose to 1-(furan-2-yl)-2-hydroxyethanone in zinc chloride solution under microwave irradiation	Carbohydrate research
21147335	20110115	Effectiveness of different solid-phase microextraction fibres for differentiation of selected Madeira island fruits based on their volatile metabolite profile--identification of novel compounds	Talanta
12323057	20021003	Stereocontrolled synthesis of (+)-boronolide	Organic letters

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Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.031694049
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.031694049
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1