ChemSpider 2D Image | Doederleinic acid | C7H8O4

Doederleinic acid

  • Molecular FormulaC7H8O4
  • Average mass156.136 Da
  • Monoisotopic mass156.042252 Da
  • ChemSpider ID23089579

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-carbonsäure [German] [ACD/IUPAC Name]
(1R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-hydroxy-, (1R,6S)- [ACD/Index Name]
Acide (1R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ène-3-carboxylique [French] [ACD/IUPAC Name]
Doederleinic acid
171596-14-8 [RN]
MFCD08460219 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 405.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.0±6.0 kJ/mol
Flash Point: 179.0±22.2 °C
Index of Refraction: 1.634
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.43
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 96.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement