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1917-15-3

1917-15-3 structural image
Product Name: 5-Methyl-2-furoic acid
Formula: C6H6O3
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H319:Serious eye damage/eye irritation
Precautionary Statement Codes P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 126.11 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 126.031694049 g/mol
Monoisotopic Mass 126.031694049 g/mol
Topological Polar Surface Area 50.4 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 122
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

5-methylfuran-2-carboxylic acid is a member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a methyl group. It has a role as a human urinary metabolite and a rat metabolite.