ChemSpider 2D Image | 9-Formyl-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate | C23H22O7

9-Formyl-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate

  • Molecular FormulaC23H22O7
  • Average mass410.417 Da
  • Monoisotopic mass410.136566 Da
  • ChemSpider ID35014728

More details:

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

(4-Hydroxyphényl)acétate de 9-formyl-3,6-diméthyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuléno[4,5-b]furan-4-yle [French] [ACD/IUPAC Name]
9-Formyl-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate [ACD/IUPAC Name]
9-Formyl-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl-(4-hydroxyphenyl)acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 4-hydroxy-, 9-formyl-2,3,3a,4,5,7,9a,9b-octahydro-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester [ACD/Index Name]
(5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate)
9-formyl-3,6-dimethyl-2,7-dioxo-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 233.0±25.0 °C
Index of Refraction: 1.617
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.32
ACD/KOC (pH 5.5): 361.63
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.22
ACD/KOC (pH 7.4): 360.19
Polar Surface Area: 107 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 297.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement