ChemSpider 2D Image | (16E)-17-Methoxy-2-oxocorynoxa-16,18-dien-16-carboxylic acid | C21H24N2O4

(16E)-17-Methoxy-2-oxocorynoxa-16,18-dien-16-carboxylic acid

  • Molecular FormulaC21H24N2O4
  • Average mass368.426 Da
  • Monoisotopic mass368.173615 Da
  • ChemSpider ID23341548
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:



Featured data source



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

(16E)-17-Methoxy-2-oxocorynoxa-16,18-dien-16-carbonsäure [German] [ACD/IUPAC Name]
(16E)-17-Methoxy-2-oxocorynoxa-16,18-dien-16-carboxylic acid [ACD/IUPAC Name]
Acide (16E)-17-méthoxy-2-oxocorynoxa-16,18-dién-16-carboxylique [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid, 6'-ethenyl-1,2,2',3',6',7',8',8'a-octahydro-α-(methoxymethylene)-2-oxo-, (αE,3S,6'S,7'S,8'aS)- [ACD/Index Name]
18,19-dehydrocorynoxinic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 596.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.7±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.21
Polar Surface Area: 79 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 280.6±5.0 cm3

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