ChemSpider 2D Image | Cinmetacin | C21H19NO4

Cinmetacin

  • Molecular FormulaC21H19NO4
  • Average mass349.380 Da
  • Monoisotopic mass349.131409 Da
  • ChemSpider ID21160676

More details:

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

(1-Cinnamoyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid [ACD/IUPAC Name]
(1-Cinnamoyl-5-methoxy-2-methyl-1H-indol-3-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)- [ACD/Index Name]
20168-99-4 [RN]
243-555-6 [EINECS]
Acide (1-cinnamoyl-5-méthoxy-2-méthyl-1H-indol-3-yl)acétique [French] [ACD/IUPAC Name]
Cinmetacin [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.9±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 8.22
ACD/KOC (pH 5.5): 58.46
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 69 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 292.4±7.0 cm3

Click to predict properties on the Chemicalize site


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