Found 3 results

Search term: GSCAVDGYZRSZJS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-2,3-Dihydro-1-benzothiophene-2-carboxylic acid | C9H8O2S

(2R)-2,3-Dihydro-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC9H8O2S
  • Average mass180.224 Da
  • Monoisotopic mass180.024506 Da
  • ChemSpider ID32798333

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,3-Dihydro-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2,3-Dihydro-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide (2R)-2,3-dihydro-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 365.2±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.7±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: 2.01
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.41
ACD/LogD (pH 7.4): -1.47
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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