ChemSpider 2D Image | (3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid | C9H15NO2

(3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid

  • Molecular FormulaC9H15NO2
  • Average mass169.221 Da
  • Monoisotopic mass169.110275 Da
  • ChemSpider ID30784800

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,3aS,7aS)-Octahydro-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
(3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
1H-Indole-2-carboxylic acid, octahydro-, (2R,3aS,7aS)- [ACD/Index Name]
2055118-14-2 [RN]
Acide (2R,3aS,7aS)-octahydro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
[80875-98-5] [RN]
145513-91-3 [RN]
80875-98-5 [RN]
923587-70-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 318.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 146.5±23.2 °C
Index of Refraction: 1.508
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 149.0±3.0 cm3

Click to predict properties on the Chemicalize site


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