ChemSpider 2D Image | 2-{(2-Isopropyl-6-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-isopropyl-6-methyl-4-(phosphonooxy)phenyl]methyl}benzoic acid | C28H31O7P

2-{(2-Isopropyl-6-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-isopropyl-6-methyl-4-(phosphonooxy)phenyl]methyl}benzoic acid

  • Molecular FormulaC28H31O7P
  • Average mass510.515 Da
  • Monoisotopic mass510.180725 Da
  • ChemSpider ID255659

More details:

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

2-{(2-Isopropyl-6-methyl-4-oxo-2,5-cyclohexadien-1-yliden)[2-isopropyl-6-methyl-4-(phosphonooxy)phenyl]methyl}benzoesäure [German] [ACD/IUPAC Name]
2-{(2-Isopropyl-6-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-isopropyl-6-methyl-4-(phosphonooxy)phenyl]methyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{(2-isopropyl-6-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)[2-isopropyl-6-méthyl-4-(phosphonooxy)phényl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-methyl-6-(1-methylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene][2-methyl-6-(1-methylethyl)-4-(phosphonooxy)phenyl]methyl]- [ACD/Index Name]

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

NSC152036 [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: 728.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 394.1±35.7 °C
Index of Refraction: 1.607
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 397.4±3.0 cm3

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