ChemSpider 2D Image | [(2R,4R)-6-Chloro-4-hydroxy-2,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetic acid | C13H15ClO4

[(2R,4R)-6-Chloro-4-hydroxy-2,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetic acid

  • Molecular FormulaC13H15ClO4
  • Average mass270.709 Da
  • Monoisotopic mass270.065887 Da
  • ChemSpider ID23160433

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2R,4R)-6-Chlor-4-hydroxy-2,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]essigsäure [German] [ACD/IUPAC Name]
[(2R,4R)-6-Chloro-4-hydroxy-2,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetic acid [ACD/IUPAC Name]
2H-1-Benzopyran-4-acetic acid, 6-chloro-3,4-dihydro-4-hydroxy-2,8-dimethyl-, (2R,4R)- [ACD/Index Name]
Acide [(2R,4R)-6-chloro-4-hydroxy-2,8-diméthyl-3,4-dihydro-2H-chromén-4-yl]acétique [French] [ACD/IUPAC Name]
(6-Chloro-4-hydroxy-2,8-dimethyl-chroman-4-yl)-acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 468.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 237.4±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 23.03
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 203.1±3.0 cm3

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