chempirical

Demethylbellidifolin

C13H8O6CAS 2980-32-7260.20 g/mol

Open in Covalent MOL file
OOHOHOOHOH
Phenol

Properties

Molecular formula
C13H8O6
Molar mass
260.20 g/mol
Exact mass
260.0321 Da
Melting point
317 °C
logP
1.77Crippen estimate
Polar surface area
111.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Identifiers

CAS number
2980-32-7
SMILES
O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12
InChIKey
MPXAWSABMVLIBU-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 9H-Xanthen-9-one, 1,3,5,8-tetrahydroxy-
  • Xanthen-9-one, 1,3,5,8-tetrahydroxy-
  • 1,3,5,8-Tetrahydroxy-9H-xanthen-9-one
  • 1,3,5,8-Tetrahydroxyxanthone
  • 1,3,5,8-Tetrahydroxyxanthen-9-one
  • Desmethylbellidifoline
  • Desmethylbellidifolin
  • Bellidin
  • 3-O-Demethylbellidifolin
  • Norbellidifodin
  • Norbellidifolin
  • 1,3,5,8-Tetrahydroxy xanthenone

Work with Demethylbellidifolin

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

Bellidifolin2798-25-664 % similar Quercetin117-39-556 % similar Morin480-16-055 % similar Kaempferol520-18-355 % similar Galangin548-83-453 % similar Myricetin529-44-252 % similar Datiscetin480-15-952 % similar Quercetin dihydrate6151-25-352 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook