Found 1 result

Search term: 78441600 (Found by CSID)
ChemSpider 2D Image | (3S)-5-Chloro-6,8-dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one | C11H11ClO4

(3S)-5-Chloro-6,8-dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC11H11ClO4
  • Average mass242.656 Da
  • Monoisotopic mass242.034592 Da
  • ChemSpider ID78441600

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-5-Chlor-6,8-dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(3S)-5-Chloro-6,8-dihydroxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(3S)-5-Chloro-6,8-dihydroxy-3,7-diméthyl-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 5-chloro-3,4-dihydro-6,8-dihydroxy-3,7-dimethyl-, (3S)- [ACD/Index Name]
Chaetosemin G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 255.4±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 414.93
ACD/KOC (pH 5.5): 2580.10
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 120.35
ACD/KOC (pH 7.4): 748.36
Polar Surface Area: 67 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement