ChemSpider 2D Image | 3-Hydroxyadamantane-1-acetic acid | C12H18O3

3-Hydroxyadamantane-1-acetic acid

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID24740365

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]acetic acid [ACD/IUPAC Name]
[(1r,3s,5R,7S)-3-Hydroxyadamantan-1-yl]essigsäure [German] [ACD/IUPAC Name]
17768-36-4 [RN]
3-Hydroxy-1-(carboxymethyl)adamantane
3-Hydroxyadamantane-1-acetic acid
3-Hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid
Acide [(1r,3s,5R,7S)-3-hydroxyadamantan-1-yl]acétique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-hydroxy-, (5R,7S)- [ACD/Index Name]
(3-Hydroxy-adamantan-1-yl)-acetic acid
(3-HYDROXY-ADAMANTAN-1-YL)-ACETICACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00167797 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 375.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.1±6.0 kJ/mol
Flash Point: 195.0±16.9 °C
Index of Refraction: 1.606
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 25.37
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 158.1±3.0 cm3

Click to predict properties on the Chemicalize site


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