ChemSpider 2D Image | 3,4,7-Trihydroxy-6-(hydroxymethyl)-9,12-dimethyl-10H-2,5,11-trioxabenzo[4,5]cyclohepta[1,2-f]indene-1,10(3H)-dione | C18H14O9

3,4,7-Trihydroxy-6-(hydroxymethyl)-9,12-dimethyl-10H-2,5,11-trioxabenzo[4,5]cyclohepta[1,2-f]indene-1,10(3H)-dione

  • Molecular FormulaC18H14O9
  • Average mass374.298 Da
  • Monoisotopic mass374.063782 Da
  • ChemSpider ID90615716

More details:

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

10H-2,5,11-Trioxabenzo[4,5]cyclohept[1,2-f]indene-1,10(3H)-dione, 3,4,7-trihydroxy-6-(hydroxymethyl)-9,12-dimethyl- [ACD/Index Name]
3,4,7-Trihydroxy-6-(hydroxymethyl)-9,12-dimethyl-10H-2,5,11-trioxabenzo[4,5]cyclohepta[1,2-f]inden-1,10(3H)-dion [German] [ACD/IUPAC Name]
3,4,7-Trihydroxy-6-(hydroxymethyl)-9,12-dimethyl-10H-2,5,11-trioxabenzo[4,5]cyclohepta[1,2-f]indene-1,10(3H)-dione [ACD/IUPAC Name]
3,4,7-Trihydroxy-6-(hydroxyméthyl)-9,12-diméthyl-10H-2,5,11-trioxabenzo[4,5]cyclohepta[1,2-f]indène-1,10(3H)-dione [French] [ACD/IUPAC Name]
5,16,18-Trihydroxy-4-(hydroxymethyl)-7,12-dimethyl-2,10,15-trioxatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3(8),4,6,12,17-hexaene-9,14-dione
Compound NP-023963

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

Density: 1.7±0.1 g/cm3
Boiling Point: 759.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 281.1±26.4 °C
Index of Refraction: 1.734
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.78
ACD/KOC (pH 5.5): 89.27
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.18
Polar Surface Area: 143 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 219.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement