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19322-27-1

19322-27-1 structural image
Product Name: 4-Hydroxy-5-methyl-3-furanone
Formula: C5H6O3
Synonyms: toffee furanone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 126.6 - 127.5 °C
Solubility Soluble in water; Slightly soluble in fats
Kovats Retention Index 1054 1087 1042 1040 1044 1075

COMPUTED DESCRIPTORS

Molecular Weight 114.10 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 114.031694049 g/mol
Monoisotopic Mass 114.031694049 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 157
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-hydroxy-5-methyl-3-furanone is a member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3. It has a role as a metabolite. It is a member of furans, an enol and a cyclic ketone. It is functionally related to a 5-methyl-2,3-dihydrofuran.