ChemSpider 2D Image | 2,3-Dihydro-1-benzothiophene-3-carboxylic acid | C9H8O2S

2,3-Dihydro-1-benzothiophene-3-carboxylic acid

  • Molecular FormulaC9H8O2S
  • Average mass180.224 Da
  • Monoisotopic mass180.024506 Da
  • ChemSpider ID28544204

More details:

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

19156-56-0 [RN]
2,3-Dihydro-1-benzothiophen-3-carbonsäure [German] [ACD/IUPAC Name]
2,3-Dihydro-1-benzothiophene-3-carboxylic acid [ACD/IUPAC Name]
2,3-Dihydrobenzo[b]thiophene-3-carboxylic acid
Acide 2,3-dihydro-1-benzothiophène-3-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2,3-dihydro- [ACD/Index Name]
1932240-84-0 [RN]
2,3-Dihydro-benzo[b]thiophene-3-carboxylic acid
AGN-PC-0A9ZJG
AKOS023400892
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 337.5±41.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.3±3.0 kJ/mol
    Flash Point: 157.9±27.6 °C
    Index of Refraction: 1.660
    Molar Refractivity: 48.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.65
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.94
    ACD/LogD (pH 7.4): -1.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 61.7±3.0 dyne/cm
    Molar Volume: 130.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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