ChemSpider 2D Image | 3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate | C23H28O8

3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

  • Molecular FormulaC23H28O8
  • Average mass432.464 Da
  • Monoisotopic mass432.178406 Da
  • ChemSpider ID28570341

More details:

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

2,4-Dihydroxy-6-méthylbenzoate de 3-formyl-2a,4a,7-trihydroxy-6,6,7b-triméthyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indén-2-yle [French] [ACD/IUPAC Name]
3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate [ACD/IUPAC Name]
3-Formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-2-yl-2,4-dihydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester [ACD/Index Name]
112529-19-8 [RN]
3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate
Melledonal
MELLEDONAL A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 227.7±25.0 °C
Index of Refraction: 1.664
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 28.95
ACD/KOC (pH 5.5): 386.24
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 17.51
ACD/KOC (pH 7.4): 233.58
Polar Surface Area: 145 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 293.5±5.0 cm3

Click to predict properties on the Chemicalize site


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