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Search term: NIDNOXCRFUCAKQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R,3S,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid | C9H10O4

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

  • Molecular FormulaC9H10O4
  • Average mass182.173 Da
  • Monoisotopic mass182.057907 Da
  • ChemSpider ID60609212

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,3S,4S)-Bicyclo[2.2.1]hept-5-en-2,3-dicarbonsäure [German] [ACD/IUPAC Name]
(1S,2R,3S,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R,3S,4S)-bicyclo[2.2.1]hept-5-ène-2,3-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, (1S,2R,3S,4S)- [ACD/Index Name]
1821718-99-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 419.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 221.8±25.2 °C
Index of Refraction: 1.601
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 123.0±3.0 cm3

Click to predict properties on the Chemicalize site


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