ChemSpider 2D Image | (1R)-7,8,9-Trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta[c]isochromene-1-carboxylic acid | C13H8O8

(1R)-7,8,9-Trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta[c]isochromene-1-carboxylic acid

  • Molecular FormulaC13H8O8
  • Average mass292.198 Da
  • Monoisotopic mass292.021912 Da
  • ChemSpider ID57256951

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-7,8,9-Trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta[c]isochromen-1-carbonsäure [German] [ACD/IUPAC Name]
(1R)-7,8,9-Trihydroxy-3,5-dioxo-1,2,3,5-tetrahydrocyclopenta[c]isochromene-1-carboxylic acid [ACD/IUPAC Name]
Acide (1R)-7,8,9-trihydroxy-3,5-dioxo-1,2,3,5-tétrahydrocyclopenta[c]isochromène-1-carboxylique [French] [ACD/IUPAC Name]
Benzo[d]cyclopenta[b]pyran-1-carboxylic acid, 1,2,3,5-tetrahydro-7,8,9-trihydroxy-3,5-dioxo-, (1R)- [ACD/Index Name]
18490-95-4 [RN]
brevifolincarboxylic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 296.2±26.4 °C
Index of Refraction: 1.802
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 135.8±5.0 dyne/cm
Molar Volume: 146.5±5.0 cm3

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