ChemSpider 2D Image | Ethyl (2Z,4Z,7Z)-2,4,7-trihydroxy-6,9-dioxo-2,4,7-decatrienoate | C12H14O7

Ethyl (2Z,4Z,7Z)-2,4,7-trihydroxy-6,9-dioxo-2,4,7-decatrienoate

  • Molecular FormulaC12H14O7
  • Average mass270.235 Da
  • Monoisotopic mass270.073944 Da
  • ChemSpider ID23044137

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4Z,7Z)-2,4,7-Trihydroxy-6,9-dioxo-2,4,7-décatriénoate d'éthyle [French] [ACD/IUPAC Name]
2,4,7-Decatrienoic acid, 2,4,7-trihydroxy-6,9-dioxo-, ethyl ester, (2Z,4Z,7Z)- [ACD/Index Name]
Ethyl (2Z,4Z,7Z)-2,4,7-trihydroxy-6,9-dioxo-2,4,7-decatrienoate [ACD/IUPAC Name]
Ethyl-(2Z,4Z,7Z)-2,4,7-trihydroxy-6,9-dioxo-2,4,7-decatrienoat [German] [ACD/IUPAC Name]
2,4,7-Trihydroxy-6,9-dioxo-deca-2,4,7-trienoic acid ethyl ester
ethyl (2Z,4Z,7Z)-2,4,7-trihydroxy-6,9-dioxodeca-2,4,7-trienoate
ethyl 2,4,7-trihydroxy-6,9-dioxodeca-2,4,7-trienoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 445.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 168.1±22.2 °C
Index of Refraction: 1.561
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.59
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 197.1±3.0 cm3

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