ChemSpider 2D Image | [5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl]acetic acid | C18H20O7

[5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl]acetic acid

  • Molecular FormulaC18H20O7
  • Average mass348.347 Da
  • Monoisotopic mass348.120911 Da
  • ChemSpider ID112715818

More details:

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

[5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl]acetic acid [ACD/IUPAC Name]
[5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalinyl]essigsäure [German] [ACD/IUPAC Name]
2-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-dioxo- [ACD/Index Name]
Acide [5,8-dihydroxy-2-(1-hydroxy-4-méthyl-3-pentén-1-yl)-1,4-dioxo-1,2,3,4-tétrahydro-2-naphtalényl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 365.7±28.0 °C
Index of Refraction: 1.615
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 13.50
ACD/KOC (pH 5.5): 91.03
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

Click to predict properties on the Chemicalize site


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