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Search term: 65790994 (Found by CSID)
ChemSpider 2D Image | chrysine D | C18H17ClO8

chrysine D

  • Molecular FormulaC18H17ClO8
  • Average mass396.776 Da
  • Monoisotopic mass396.061188 Da
  • ChemSpider ID65790994

More details:

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

2-[2-Chlor-5-hydroxy-6-(methoxycarbonyl)-3-methylphenoxy]-3,5-dimethoxybenzoesäure [German] [ACD/IUPAC Name]
2-[2-Chloro-5-hydroxy-6-(methoxycarbonyl)-3-methylphenoxy]-3,5-dimethoxybenzoic acid [ACD/IUPAC Name]
Acide 2-[2-chloro-5-hydroxy-6-(méthoxycarbonyl)-3-méthylphénoxy]-3,5-diméthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(2-carboxy-4,6-dimethoxyphenoxy)-3-chloro-6-hydroxy-4-methyl-, 1-methyl ester [ACD/Index Name]
chrysine D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 8.93
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 112 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 285.1±3.0 cm3

Click to predict properties on the Chemicalize site


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