Found 124 results

Search term: MF = 'C_{21}H_{18}O_{4}S'
ChemSpider 2D Image | 3-({[(2-Oxo-2,6,7,8-tetrahydrocyclopenta[g]chromen-4-yl)methyl]sulfanyl}methyl)benzoic acid | C21H18O4S

3-({[(2-Oxo-2,6,7,8-tetrahydrocyclopenta[g]chromen-4-yl)methyl]sulfanyl}methyl)benzoic acid

  • Molecular FormulaC21H18O4S
  • Average mass366.430 Da
  • Monoisotopic mass366.092590 Da
  • ChemSpider ID22404116

More details:

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

3-({[(2-Oxo-2,6,7,8-tetrahydrocyclopenta[g]chromen-4-yl)methyl]sulfanyl}methyl)benzoesäure [German] [ACD/IUPAC Name]
3-({[(2-Oxo-2,6,7,8-tetrahydrocyclopenta[g]chromen-4-yl)methyl]sulfanyl}methyl)benzoic acid [ACD/IUPAC Name]
Acide 3-({[(2-oxo-2,6,7,8-tétrahydrocyclopenta[g]chromén-4-yl)méthyl]sulfanyl}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(2,6,7,8-tetrahydro-2-oxoindeno[5,6-b]pyran-4-yl)methyl]thio]methyl]- [ACD/Index 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: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 123.09
ACD/KOC (pH 5.5): 452.48
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 3.52
ACD/KOC (pH 7.4): 12.95
Polar Surface Area: 89 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 269.0±3.0 cm3

Click to predict properties on the Chemicalize site


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