ChemSpider 2D Image | Dimethyl 1H-pyrrole-2,4-dicarboxylate | C8H9NO4

Dimethyl 1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC8H9NO4
  • Average mass183.161 Da
  • Monoisotopic mass183.053162 Da
  • ChemSpider ID28184850

More details:

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

1H-Pyrrole-2,4-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2,4-dicarboxylic acid, dimethyl ester [ACD/Index Name]
2,4-dimethyl 1H-pyrrole-2,4-dicarboxylate
2818-07-7 [RN]
Dimethyl 1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Dimethyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
[2818-07-7] [RN]
1H-PYRROLE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER
2818-07-07
'2818-07-7 [EINECS]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

07.07.2818 [DBID]
CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 355.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±3.0 kJ/mol
    Flash Point: 168.5±22.3 °C
    Index of Refraction: 1.528
    Molar Refractivity: 44.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.87
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.13
    ACD/KOC (pH 5.5): 195.26
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 11.13
    ACD/KOC (pH 7.4): 195.26
    Polar Surface Area: 68 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 143.5±3.0 cm3

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