ChemSpider 2D Image | AU4452200 | C11H16O2

AU4452200

  • Molecular FormulaC11H16O2
  • Average mass180.243 Da
  • Monoisotopic mass180.115036 Da
  • ChemSpider ID21171510

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-1-Adamantancarbonsäure [German] [ACD/IUPAC Name]
(3s,5s,7s)-1-Adamantanecarboxylic acid [ACD/IUPAC Name]
(3s,5s,7s)-Adamantane-1-carboxylic acid
(3S,5S,7S)-tricyclo[3.3.1.13,7]decane-1-carboxylic acid
212-584-6 [EINECS]
Acide (3s,5s,7s)-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
AU4452200
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid [ACD/Index Name]
(3R,5S,7s)-adamantane-1-carboxylic acid
1-Adamantane carboxylic acid
More...

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

1910637 [DBID]
MFCD00074720 [DBID]
01823_FLUKA [DBID]
106399_ALDRICH [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 304.7±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 142.0±13.7 °C
Index of Refraction: 1.573
Molar Refractivity: 48.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 10.79
ACD/KOC (pH 5.5): 118.67
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 37 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 146.5±3.0 cm3

Click to predict properties on the Chemicalize site


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