Found 8 results

Search term: ZCJNJGNVUGMXST (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,6S)-2-Chloro-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylic acid | C9H9ClO4

(1R,6S)-2-Chloro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid

  • Molecular FormulaC9H9ClO4
  • Average mass216.618 Da
  • Monoisotopic mass216.018936 Da
  • ChemSpider ID45652404

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(1R,6S)-2-Chlor-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-carbonsäure [German] [ACD/IUPAC Name]
(1R,6S)-2-Chloro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid [ACD/IUPAC Name]
3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, 6-chlorohexahydro-2-oxo-, (3S,5R)- [ACD/Index Name]
Acide (1R,6S)-2-chloro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 490.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 250.2±25.9 °C
Index of Refraction: 1.596
Molar Refractivity: 45.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 134.6±5.0 cm3

Click to predict properties on the Chemicalize site


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