Chemical Properties of Scoparone (CAS 120-08-1)

Scoparone

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InChI
InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChI Key
GUAFOGOEJLSQBT-UHFFFAOYSA-N
Formula
C11H10O4
SMILES
COc1cc2ccc(=O)oc2cc1OC
Molecular Weight1
206.19
CAS
120-08-1
Other Names
  • 2H-1-Benzopyran-2-one, 6,7-dimethoxy-
  • Coumarin, 6,7-dimethoxy-
  • Aesculetin dimethyl ether
  • Escoparone
  • Esculetin dimethyl ether
  • Scoparon
  • 6,7-Dimethoxycoumarin
  • 6,7-Dimethylesculetin
  • Dimethyl esculetin
  • Benzopyran-2-one, 6,7-dimethoxy-
  • Esculetin 6,7-dimethyl ether
  • O,O-Dimethylesculetin
  • O-Methylisoscopoletin
  • O-Methylscopoletin
  • Scopoletin methyl ether
  • 6,7-Dimethoxy-2H-chromen-2-one
  • 6,7-dimethoxy-2-benzopyrone
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Physical Properties

Property Value Unit Source
log10WS -6.67 Crippen Calculated Property
logPoct/wat 1.810 Crippen Calculated Property
McVol 146.110 ml/mol McGowan Calculated Property
Inp [1984.00; 2028.00]   Show Hide
Inp 2018.20 NIST
Inp 2028.00 NIST
Inp 1984.00 NIST
Inp 2018.20 NIST
Inp 1984.00 NIST

Similar Compounds

Scopoletin. Scopoletin, O-trifluoroacetyl-. Scopoletin, O-acetyl-. 2H-1-Benzopyran-2-one, 7-methoxy-. Coumarin, 6-methoxy-7-trimethylsilyloxy. 6-Methoxycoumarin. Scopoletin, O-pentafluoropropionyl-. Scopoletin, trimethylsilyl ether. 2H-1-Benzopyran-2-one, 5,7-dimethoxy-. Esculetin. Isofraxidin. Scopoletin, O-heptafluorobutyryl-. 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-. 4-Methoxycoumarin. 5,7,8-trimethoxycoumarin.

Find more compounds similar to Scoparone.

Sources

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