ChemSpider 2D Image | 12-Deoxyaklanonic acid | C21H18O7

12-Deoxyaklanonic acid

  • Molecular FormulaC21H18O7
  • Average mass382.363 Da
  • Monoisotopic mass382.105255 Da
  • ChemSpider ID30791084

More details:

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

[4,5-Dihydroxy-10-oxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracenyl]acetic acid [ACD/IUPAC Name]
[4,5-Dihydroxy-10-oxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracenyl]essigsäure [German] [ACD/IUPAC Name]
12-Deoxyaklanonic acid
2-Anthraceneacetic acid, 3-(1,3-dioxopentyl)-9,10-dihydro-4,5-dihydroxy-10-oxo- [ACD/Index Name]
Acide [4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9,10-dihydro-2-anthracényl]acétique [French] [ACD/IUPAC Name]

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

C12420 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 389.0±28.0 °C
Index of Refraction: 1.656
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 42.12
ACD/KOC (pH 5.5): 146.94
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 265.0±3.0 cm3

Click to predict properties on the Chemicalize site


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