ChemSpider 2D Image | 2,4,5-Trimethyl-1H-pyrrole-3-carbaldehyde | C8H11NO

2,4,5-Trimethyl-1H-pyrrole-3-carbaldehyde

  • Molecular FormulaC8H11NO
  • Average mass137.179 Da
  • Monoisotopic mass137.084061 Da
  • ChemSpider ID23041519

More details:

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

1H-Pyrrole-3-carboxaldehyde, 2,4,5-trimethyl- [ACD/Index Name]
2,4,5-Trimethyl-1H-pyrrol-3-carbaldehyd [German] [ACD/IUPAC Name]
2,4,5-Trimethyl-1H-pyrrole-3-carbaldehyde [ACD/IUPAC Name]
2,4,5-Triméthyl-1H-pyrrole-3-carbaldéhyde [French] [ACD/IUPAC Name]
288089-52-1 [RN]
[288089-52-1] [RN]
AGN-PC-0NHRMZ
BB_SC-7967
BBL009372
MFCD12827508 [MDL number]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 268.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.6±3.0 kJ/mol
    Flash Point: 123.1±33.4 °C
    Index of Refraction: 1.567
    Molar Refractivity: 41.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 12.66
    ACD/KOC (pH 5.5): 214.12
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 12.66
    ACD/KOC (pH 7.4): 214.12
    Polar Surface Area: 33 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 41.2±3.0 dyne/cm
    Molar Volume: 128.2±3.0 cm3

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