ChemSpider 2D Image | (3S)-3-(1-Naphthyl)-2-benzofuran-1(3H)-one | C18H12O2

(3S)-3-(1-Naphthyl)-2-benzofuran-1(3H)-one

  • Molecular FormulaC18H12O2
  • Average mass260.287 Da
  • Monoisotopic mass260.083740 Da
  • ChemSpider ID103881629

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(1-Naphthalenyl)-1(3H)-isobenzofuranone
(3S)-3-(1-Naphthyl)-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
(3S)-3-(1-Naphthyl)-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
(3S)-3-(1-Naphtyl)-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-Isobenzofuranone, 3-(1-naphthalenyl)-, (3S)- [ACD/Index Name]
107796-85-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 196.6±25.9 °C
Index of Refraction: 1.687
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 840.53
ACD/KOC (pH 5.5): 4315.15
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 840.53
ACD/KOC (pH 7.4): 4315.15
Polar Surface Area: 26 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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