ChemSpider 2D Image | 2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoic acid | C17H15NO10

2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoic acid

  • Molecular FormulaC17H15NO10
  • Average mass393.302 Da
  • Monoisotopic mass393.069611 Da
  • ChemSpider ID35516929

More details:

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

2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-6-[4-hydroxy-6-méthoxy-2-(méthoxycarbonyl)-3-nitrophénoxy]-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2-carboxy-3-hydroxy-5-methylphenoxy)-5-hydroxy-3-methoxy-6-nitro-, 1-methyl ester [ACD/Index Name]
3-nitroasterric acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 576.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.5±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 259.4±3.0 cm3

Click to predict properties on the Chemicalize site


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