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Search term: BJNNZKKDZWTYNV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2,2-dimethylpropyl 2-naphthoate | C26H22O5

3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2,2-dimethylpropyl 2-naphthoate

  • Molecular FormulaC26H22O5
  • Average mass414.450 Da
  • Monoisotopic mass414.146729 Da
  • ChemSpider ID23252308

More details:

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

2-Naphthalenecarboxylic acid, 3-(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)-2,2-dimethylpropyl ester [ACD/Index Name]
2-Naphtoate de 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-2,2-diméthylpropyle [French] [ACD/IUPAC Name]
3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2,2-dimethylpropyl 2-naphthoate [ACD/IUPAC Name]
3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-2,2-dimethylpropyl-2-naphthoat [German] [ACD/IUPAC Name]
3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl naphthalene-2-carboxylate
Naphthalene-2-carboxylic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 208.0±25.0 °C
Index of Refraction: 1.653
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1067.23
ACD/KOC (pH 5.5): 3217.19
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 18.34
ACD/KOC (pH 7.4): 55.28
Polar Surface Area: 81 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 319.1±3.0 cm3

Click to predict properties on the Chemicalize site


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