chempirical

Exifone

C13H10O7CAS 52479-85-3278.22 g/mol

Open in Covalent MOL file
OOHOHOHHOOHOH
KetonePhenol

Properties

Molecular formula
C13H10O7
Molar mass
278.22 g/mol
Exact mass
278.0427 Da
Melting point
270 °C
logP
1.15Crippen estimate
Polar surface area
138.4 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
2

Identifiers

CAS number
52479-85-3
SMILES
O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O
InChIKey
XEDWWPGWIXPVRQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H

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Names and synonyms

8 names
  • Methanone, (2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)-
  • (2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone
  • 4-Galloylpyrogallol
  • 2,3,3′,4,4′,5′-Hexahydroxybenzophenone
  • 3,4,5,2′,3′,4′-Hexahydroxybenzophenone
  • Adlone
  • 2,3,4,3′,4′,5′-Hexahydroxybenzophenone
  • NSC 680919

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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

2,3,4-Trihydroxybenzophenone1143-72-270 % similar 2,3,4,4′-Tetrahydroxybenzophenone31127-54-568 % similar 2,3,4-Trihydroxybenzoic acid610-02-653 % similar Quinalizarin81-61-850 % similar Alizarin72-48-047 % similar Gallic acid149-91-747 % similar 2,4,4′-Trihydroxybenzophenone1470-79-745 % similar 1,2,4-Trihydroxyanthraquinone81-54-945 % similar

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

Elsewhere

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