ChemSpider 2D Image | palmyrrolinone | C12H15NO4

palmyrrolinone

  • Molecular FormulaC12H15NO4
  • Average mass237.252 Da
  • Monoisotopic mass237.100113 Da
  • ChemSpider ID26398520

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-1-[(2E,4E)-6-Hydroxy-3-methoxy-2,4-hexadienoyl]-5-methyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-1-[(2E,4E)-6-Hydroxy-3-methoxy-2,4-hexadienoyl]-5-methyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-1-[(2E,4E)-6-Hydroxy-3-méthoxy-2,4-hexadienoyl]-5-méthyl-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1,5-dihydro-1-[(2E,4E)-6-hydroxy-3-methoxy-1-oxo-2,4-hexadien-1-yl]-5-methyl-, (5S)- [ACD/Index Name]
palmyrrolinone
(2S)-1-[(2E,4E)-6-hydroxy-3-methoxyhexa-2,4-dienoyl]-2-methyl-2H-pyrrol-5-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±6.0 kJ/mol
Flash Point: 205.1±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.03
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.03
Polar Surface Area: 67 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 194.2±3.0 cm3

Click to predict properties on the Chemicalize site


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