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Search term: 71048938 (Found by CSID)
ChemSpider 2D Image | (7S,11S)-7,12-epoxysydonic acid | C15H20O4

(7S,11S)-7,12-epoxysydonic acid

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID71048938

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7S,11S)-7,12-epoxysydonic acid
4-[(2S,6S)-2,6-Dimethyl-2-oxepanyl]-3-hydroxybenzoesäure [German] [ACD/IUPAC Name]
4-[(2S,6S)-2,6-Dimethyl-2-oxepanyl]-3-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 4-[(2S,6S)-2,6-diméthyl-2-oxépanyl]-3-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2S,6S)-2,6-dimethyl-2-oxepanyl]-3-hydroxy- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 424.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 156.3±22.2 °C
Index of Refraction: 1.541
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 9.56
ACD/KOC (pH 5.5): 64.10
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 67 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 228.8±3.0 cm3

Click to predict properties on the Chemicalize site


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