Found 2 results

Search term: MZXWTRQBWNOFLV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[(3s,5s,7s)-Adamantan-1-yl]-4-hydroxy-5-methoxybenzaldehyde | C18H22O3

3-[(3s,5s,7s)-Adamantan-1-yl]-4-hydroxy-5-methoxybenzaldehyde

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID110449880

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(3s,5s,7s)-Adamantan-1-yl]-4-hydroxy-5-methoxybenzaldehyd [German] [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-4-hydroxy-5-methoxybenzaldehyde [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-4-hydroxy-5-méthoxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 4-hydroxy-3-methoxy-5-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 438.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 158.7±22.2 °C
Index of Refraction: 1.622
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 924.31
ACD/KOC (pH 5.5): 4613.83
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 712.20
ACD/KOC (pH 7.4): 3555.05
Polar Surface Area: 47 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 232.5±3.0 cm3

Click to predict properties on the Chemicalize site


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