2107-77-9
Product Name:
7,8-DIHYDROXY-4-METHYLCOUMARIN
Formula:
C10H8O4
Synonyms:
4-Methyldaphnetin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 134.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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SAFETY INFORMATION
Signal word | Danger |
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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 |
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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.