ChemSpider 2D Image | 2-Propyn-1-yl (2E)-3-[3-iodo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]acrylate | C19H16INO4

2-Propyn-1-yl (2E)-3-[3-iodo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]acrylate

  • Molecular FormulaC19H16INO4
  • Average mass449.239 Da
  • Monoisotopic mass449.012390 Da
  • ChemSpider ID44270425

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3-Iodo-5-méthoxy-4-(3-pyridinylméthoxy)phényl]acrylate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-iodo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]-, 2-propyn-1-yl ester, (2E)- [ACD/Index Name]
2-Propin-1-yl-(2E)-3-[3-iod-5-methoxy-4-(3-pyridinylmethoxy)phenyl]acrylat [German] [ACD/IUPAC Name]
2-Propyn-1-yl (2E)-3-[3-iodo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]acrylate [ACD/IUPAC Name]
2-propenoic acid, 3-[3-iodo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]-, 2-propynyl ester, (2E)-
prop-2-yn-1-yl (2E)-3-[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]acrylate
PROP-2-YN-1-YL (2E)-3-[3-IODO-5-METHOXY-4-(PYRIDIN-3-YLMETHOXY)PHENYL]PROP-2-ENOATE
PROP-2-YN-1-YL (2E)-3-{3-IODO-5-METHOXY-4-[(PYRIDIN-3-YL)METHOXY]PHENYL}PROP-2-ENOATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 566.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 173.33
ACD/KOC (pH 5.5): 1359.89
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.81
ACD/KOC (pH 7.4): 1481.31
Polar Surface Area: 58 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

Click to predict properties on the Chemicalize site


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