ChemSpider 2D Image | (1R,2S,3S,4S)-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid | C8H8O5

(1R,2S,3S,4S)-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

  • Molecular FormulaC8H8O5
  • Average mass184.146 Da
  • Monoisotopic mass184.037170 Da
  • ChemSpider ID31044329
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2S,3S,4S)-7-Oxabicyclo[2.2.1]hept-5-en-2,3-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,2S,3S,4S)-7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (1R,2S,3S,4S)- [ACD/Index Name]
Acide (1R,2S,3S,4S)-7-oxabicyclo[2.2.1]hept-5-ène-2,3-dicarboxylique [French] [ACD/IUPAC Name]
28871-62-7 [RN]
51372-65-7 [RN]
EXO-3,6-EPOXY-1,2,3,6-TETRAHYDROPHTHALIC ACID

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 464.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 199.1±22.2 °C
Index of Refraction: 1.602
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 114.0±3.0 cm3

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