chempirical

Fraxetin

C10H8O5CAS 574-84-5208.17 g/mol

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EtherPhenol

Properties

Molecular formula
C10H8O5
Molar mass
208.17 g/mol
Exact mass
208.0372 Da
Melting point
231 °C
logP
1.21Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Identifiers

CAS number
574-84-5
SMILES
COc1cc2ccc(=O)oc2c(O)c1O
InChIKey
HAVWRBANWNTOJX-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3

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Names and synonyms

7 names
  • 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-
  • Coumarin, 7,8-dihydroxy-6-methoxy-
  • 7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one
  • 7,8-Dihydroxy-6-methoxycoumarin
  • Fraxetol
  • 6-Methoxy-7,8-dihydroxycoumarin
  • Fratexin

Work with Fraxetin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isofraxidin486-21-579 % similar 6,7,8-Trimethoxycoumarin6035-49-064 % similar Scopoletin92-61-557 % similar Scoparone120-08-156 % similar Fraxinol486-28-255 % similar Xanthotoxol2009-24-754 % similar Isoscopoletin776-86-353 % similar Fraxin524-30-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia