ChemSpider 2D Image | 2-(2-Thienyl)spiro[3.3]heptane-2-carboxylic acid | C12H14O2S

2-(2-Thienyl)spiro[3.3]heptane-2-carboxylic acid

  • Molecular FormulaC12H14O2S
  • Average mass222.303 Da
  • Monoisotopic mass222.071457 Da
  • ChemSpider ID48320440

More details:

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

1488004-02-9 [RN]
2-(2-Thienyl)spiro[3.3]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
2-(2-Thienyl)spiro[3.3]heptane-2-carboxylic acid [ACD/IUPAC Name]
2-(thiophen-2-yl)spiro[3.3]heptane-2-carboxylic acid
Acide 2-(2-thiényl)spiro[3.3]heptane-2-carboxylique [French] [ACD/IUPAC Name]
Spiro[3.3]heptane-2-carboxylic acid, 2-(2-thienyl)- [ACD/Index Name]
MFCD21120418

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

Density: 1.3±0.1 g/cm3
Boiling Point: 391.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 190.3±23.2 °C
Index of Refraction: 1.620
Molar Refractivity: 59.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 4.84
ACD/KOC (pH 5.5): 45.67
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 169.4±5.0 cm3

Click to predict properties on the Chemicalize site


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