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2107-77-9

2107-77-9 structural image
Product Name: 7,8-DIHYDROXY-4-METHYLCOUMARIN
Formula: C10H8O4
Synonyms: 4-Methyldaphnetin
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 134.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H319:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 192.17 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 192.04225873 g/mol
Monoisotopic Mass 192.04225873 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 284
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

7,8-dihydroxy-4-methyl-1-benzopyran-2-one is a hydroxycoumarin.