chempirical

Isofraxidin

C11H10O5CAS 486-21-5222.20 g/mol

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OOOOHO
EtherPhenol

Properties

Molecular formula
C11H10O5
Molar mass
222.20 g/mol
Exact mass
222.0528 Da
Melting point
148–149 °C
logP
1.52Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
486-21-5
SMILES
COc1cc2ccc(=O)oc2c(OC)c1O
InChIKey
HOEVRHHMDJKUMZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3

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Names and synonyms

7 names
  • 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-
  • Coumarin, 7-hydroxy-6,8-dimethoxy-
  • Umbelliferone, 6,8-dimethoxy-
  • 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one
  • 6,8-Dimethoxy-7-hydroxycoumarin
  • Phytodolor
  • NSC 324637

Work with Isofraxidin

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

Fraxetin574-84-579 % similar 6,7,8-Trimethoxycoumarin6035-49-074 % similar Fraxin524-30-159 % similar 8-Methoxypsoralen298-81-758 % similar Scopoletin92-61-555 % similar Scoparone120-08-154 % similar Isoscopoletin776-86-351 % similar Xanthotoxol2009-24-748 % similar

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

Same formula

Fraxinol486-28-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia