Found 19 results

Search term: MF = 'C_{17}H_{21}IO_{3}'
ChemSpider 2D Image | 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-hydroxy-4-iodobenzoate | C17H21IO3

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-hydroxy-4-iodobenzoate

  • Molecular FormulaC17H21IO3
  • Average mass400.251 Da
  • Monoisotopic mass400.053528 Da
  • ChemSpider ID56672184

More details:

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

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-hydroxy-4-iodobenzoate [ACD/IUPAC Name]
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-3-hydroxy-4-iodbenzoat [German] [ACD/IUPAC Name]
3-Hydroxy-4-iodobenzoate de 1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-4-iodo-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 411.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 202.9±24.6 °C
Index of Refraction: 1.624
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18390.02
ACD/KOC (pH 5.5): 39203.44
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 11953.95
ACD/KOC (pH 7.4): 25483.16
Polar Surface Area: 47 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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