Ellagic acid

C14H6O8CAS 476-66-4302.19 g/mol

OOHOHOOOOHOH
Phenol

Properties

Molecular formula
C14H6O8
Molar mass
302.19 g/mol
Exact mass
302.0063 Da
Melting point
above 360 °C
logP
1.31Crippen estimate
Polar surface area
141.3 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
0

Identifiers

CAS number
476-66-4
SMILES
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23
InChIKey
AFSDNFLWKVMVRB-UHFFFAOYSA-N
InChI
InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H

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Names and synonyms

17 names · show all
  • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-
  • 2,3,7,8-Tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
  • C.I. 55005
  • C.I. 75270
  • Alizarine yellow
  • Benzoaric acid
  • Gallogen (astringent)
  • [1,1′-Biphenyl]-2,2′-dicarboxylic acid, 4,4′,5,5′,6,6′-hexahydroxy-, di-δ-lactone
  • Eleagic acid
  • Gallogen
  • Elagostasine
  • Lagistase
  • Alizarin yellow
  • G 91006
  • LDN 0097519
  • Ellagic acid LT
  • 2,3,7,8-Tetrahydroxy-chromeno[5,4,3-cde]chromene-5,10-dione

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Similar compounds

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

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