ChemSpider 2D Image | 4,10-Dihydroxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carboxylic acid | C18H12O9

4,10-Dihydroxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carboxylic acid

  • Molecular FormulaC18H12O9
  • Average mass372.283 Da
  • Monoisotopic mass372.048126 Da
  • ChemSpider ID78435452

More details:

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

4,10-Dihydroxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]inden-11-carbonsäure [German] [ACD/IUPAC Name]
4,10-Dihydroxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carboxylic acid [ACD/IUPAC Name]
7H-2,6,12-Trioxabenzo[5,6]cyclohept[1,2-e]indene-11-carboxylic acid, 1,3-dihydro-4,10-dihydroxy-5,8-dimethyl-3,7-dioxo- [ACD/Index Name]
Acide 4,10-dihydroxy-5,8-diméthyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indène-11-carboxylique [French] [ACD/IUPAC Name]
Neotricone

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

Density: 1.7±0.1 g/cm3
Boiling Point: 795.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 294.8±26.4 °C
Index of Refraction: 1.715
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 140 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 84.7±3.0 dyne/cm
Molar Volume: 221.0±3.0 cm3

Click to predict properties on the Chemicalize site


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