Chemical Properties of Esculetin (CAS 305-01-1)

Esculetin

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InChI
InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChI Key
ILEDWLMCKZNDJK-UHFFFAOYSA-N
Formula
C9H6O4
SMILES
O=c1ccc2cc(O)c(O)cc2o1
Molecular Weight1
178.14
CAS
305-01-1
Other Names
  • 2H-1-Benzopyran-2-one, 6,7-dihydroxy-
  • 6,7-dihydroxy-2-benzopyrone
  • 6,7-dihydroxy-2H-1-benzopyran-2-one
  • 6,7-dihydroxycoumarin
  • Aesculetin
  • Cichorigenin
  • Cichoriin aglucon
  • Cichoriin aglycon
  • Coumarin, 6,7-dihydroxy-
  • Esculatin
  • Esculetol
  • Esculin aglucon
  • Esculin aglycon
  • NSC 26428
  • asculetine
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Physical Properties

Property Value Unit Source
log10WS -5.53 Crippen Calculated Property
logPoct/wat 1.204 Crippen Calculated Property
McVol 117.930 ml/mol McGowan Calculated Property

Similar Compounds

Scopoletin. 2H-1-Benzopyran-2-one, 6-hydroxy-. 7-Hydroxycoumarin. 5,7-Dihydroxycoumarin. Scoparone. Coumarin, 5-hydroxy-. 6,7-Dihydroxycoumarin, bis(trimethylsilyl) ether. 2H-1-Benzopyran-2-one, 4-hydroxy-. 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-. Isofraxidin. 2H-1-Benzopyran-2-one, 7-methoxy-. 6-Methoxycoumarin. Coumarin, 6-methoxy-7-trimethylsilyloxy. Scopoletin, trimethylsilyl ether. Scopoletin, O-trifluoroacetyl-.

Find more compounds similar to Esculetin.

Sources

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