ChemSpider 2D Image | 3-Hydroxy-7-methoxy-1-benzothiophene-2-carboxylic acid | C10H8O4S

3-Hydroxy-7-methoxy-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC10H8O4S
  • Average mass224.233 Da
  • Monoisotopic mass224.014328 Da
  • ChemSpider ID28521260

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Hydroxy-7-methoxy-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-Hydroxy-7-methoxy-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-hydroxy-7-méthoxy-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-hydroxy-7-methoxy- [ACD/Index Name]
1393803-54-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 444.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.4±28.7 °C
Index of Refraction: 1.712
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 95 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 148.0±3.0 cm3

Click to predict properties on the Chemicalize site


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