ChemSpider 2D Image | (3S)-6-Chloro-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid | C10H7ClO4

(3S)-6-Chloro-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid

  • Molecular FormulaC10H7ClO4
  • Average mass226.613 Da
  • Monoisotopic mass226.003281 Da
  • ChemSpider ID97490061

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-6-Chlor-1-oxo-3,4-dihydro-1H-isochromen-3-carbonsäure [German] [ACD/IUPAC Name]
(3S)-6-Chloro-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid [ACD/IUPAC Name]
1H-2-Benzopyran-3-carboxylic acid, 6-chloro-3,4-dihydro-1-oxo-, (3S)- [ACD/Index Name]
Acide (3S)-6-chloro-1-oxo-3,4-dihydro-1H-isochromène-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 520.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.6±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 148.0±3.0 cm3

Click to predict properties on the Chemicalize site


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