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Search term: MPRBZLYTNQNZKT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Nitrobenzyl 5-{[4-(heptyloxy)benzoyl]oxy}-2-hydroxybenzoate | C28H29NO8

4-Nitrobenzyl 5-{[4-(heptyloxy)benzoyl]oxy}-2-hydroxybenzoate

  • Molecular FormulaC28H29NO8
  • Average mass507.532 Da
  • Monoisotopic mass507.189331 Da
  • ChemSpider ID24764134

More details:

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

4-Nitrobenzyl 5-{[4-(heptyloxy)benzoyl]oxy}-2-hydroxybenzoate [ACD/IUPAC Name]
4-Nitrobenzyl-5-{[4-(heptyloxy)benzoyl]oxy}salicylat [German] [ACD/IUPAC Name]
5-{[4-(Heptyloxy)benzoyl]oxy}-2-hydroxybenzoate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[4-(heptyloxy)benzoyl]oxy]-2-hydroxy-, (4-nitrophenyl)methyl ester [ACD/Index Name]
4-hydroxy-3-{[(4-nitrophenyl)methyl]oxycarbonyl}phenyl 4-heptyloxybenzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 834361.56
ACD/KOC (pH 5.5): 599642.13
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 351560.44
ACD/KOC (pH 7.4): 252660.78
Polar Surface Area: 128 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 404.8±3.0 cm3

Click to predict properties on the Chemicalize site


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