Found 109 results

Search term: MF = 'C_{21}H_{18}O_{3}S'
ChemSpider 2D Image | 6-[(1-Hydroxycyclohexyl)ethynyl]-2-(3-thienyl)-4H-chromen-4-one | C21H18O3S

6-[(1-Hydroxycyclohexyl)ethynyl]-2-(3-thienyl)-4H-chromen-4-one

  • Molecular FormulaC21H18O3S
  • Average mass350.431 Da
  • Monoisotopic mass350.097656 Da
  • ChemSpider ID26398068

More details:

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

4H-1-Benzopyran-4-one, 6-[2-(1-hydroxycyclohexyl)ethynyl]-2-(3-thienyl)- [ACD/Index Name]
6-[(1-Hydroxycyclohexyl)ethinyl]-2-(3-thienyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
6-[(1-Hydroxycyclohexyl)ethynyl]-2-(3-thienyl)-4H-chromen-4-one [ACD/IUPAC Name]
6-[(1-Hydroxycyclohexyl)éthynyl]-2-(3-thiényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 553.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.4±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 595.43
ACD/KOC (pH 5.5): 3371.54
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 595.43
ACD/KOC (pH 7.4): 3371.53
Polar Surface Area: 75 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 258.9±5.0 cm3

Click to predict properties on the Chemicalize site


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