ChemSpider 2D Image | 4-Hydroxy-1-benzothiophene-6-carbaldehyde | C9H6O2S

4-Hydroxy-1-benzothiophene-6-carbaldehyde

  • Molecular FormulaC9H6O2S
  • Average mass178.208 Da
  • Monoisotopic mass178.008850 Da
  • ChemSpider ID27252766

More details:

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

1021916-91-5 [RN]
4-Hydroxy-1-benzothiophen-6-carbaldehyd [German] [ACD/IUPAC Name]
4-Hydroxy-1-benzothiophene-6-carbaldehyde [ACD/IUPAC Name]
4-Hydroxy-1-benzothiophène-6-carbaldéhyde [French] [ACD/IUPAC Name]
Benzo[b]thiophene-6-carboxaldehyde, 4-hydroxy- [ACD/Index Name]
MFCD22065776

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

Density: 1.4±0.1 g/cm3
Boiling Point: 367.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 175.9±22.3 °C
Index of Refraction: 1.769
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.49
ACD/KOC (pH 5.5): 1708.73
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 213.76
ACD/KOC (pH 7.4): 1584.67
Polar Surface Area: 66 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 123.1±3.0 cm3

Click to predict properties on the Chemicalize site


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