ChemSpider 2D Image | 3-(Methoxymethyl)-1-benzothiophene-2-carboxylic acid | C11H10O3S

3-(Methoxymethyl)-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC11H10O3S
  • Average mass222.260 Da
  • Monoisotopic mass222.035065 Da
  • ChemSpider ID25993172

More details:

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

1094424-69-7 [RN]
3-(Methoxymethyl)-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-(Methoxymethyl)-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-(méthoxyméthyl)-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-(methoxymethyl)- [ACD/Index Name]
MFCD11205090 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 381.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 184.6±23.7 °C
Index of Refraction: 1.658
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 14.14
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 75 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 164.7±3.0 cm3

Click to predict properties on the Chemicalize site


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