2-Hydroxy-1-(5-methyl-2-furyl)ethanone - CAS 28201-53-8

Catalog:	BB019789
Product Name:	2-Hydroxy-1-(5-methyl-2-furyl)ethanone
CAS:	28201-53-8
Synonyms:	2-hydroxy-1-(5-methyl-2-furanyl)ethanone; 2-hydroxy-1-(5-methylfuran-2-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	2-hydroxy-1-(5-methylfuran-2-yl)ethanone
Description:	2-Hydroxy-1-(5-methyl-2-furyl)ethanone (CAS# 28201-53-8 ) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C7H8O3
Canonical SMILES:	CC1=CC=C(O1)C(=O)CO
InChI:	InChI=1S/C7H8O3/c1-5-2-3-7(10-5)6(9)4-8/h2-3,8H,4H2,1H3
InChI Key:	JVDDSUDJZRIFPD-UHFFFAOYSA-N
LogP:	0.76300

Publication Number	Title	Priority Date
DE-102006038934-A1	Preparation of Î±-hydroxyketones via carbene-catalyzed umpolung reaction of aldehydes	20060818
EP-2051955-A1	Production of alpha hydroxy ketones via carbene catalyzed pole reversal reaction of aldehydes	20060818
EP-2051955-B1	Production of alpha hydroxy ketones via carbene catalyzed pole reversal reaction of aldehydes	20060818
ES-2603400-T3	Obtaining a-hydroxyketones through reaction of polarity reversal of aldehydes catalyzed by carbine	20060818
JP-2010501019-A	Preparation of Î±-hydroxy ketones via carbene-catalyzed polar conversion of aldehydes	20060818

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[91125-43-8]
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[87-88-7]
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[1427004-19-0]
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[70199-62-1]
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Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.047344113
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8