ChemSpider 2D Image | 3-[(2,3-Dimethoxybenzyl)carbamoyl]-2,2-dimethylcyclopropanecarboxylic acid | C16H21NO5

3-[(2,3-Dimethoxybenzyl)carbamoyl]-2,2-dimethylcyclopropanecarboxylic acid

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID27322427

More details:

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

3-[(2,3-Dimethoxybenzyl)carbamoyl]-2,2-dimethylcyclopropancarbonsäure [German] [ACD/IUPAC Name]
3-[(2,3-Dimethoxybenzyl)carbamoyl]-2,2-dimethylcyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 3-[(2,3-diméthoxybenzyl)carbamoyl]-2,2-diméthylcyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-[[[(2,3-dimethoxyphenyl)methyl]amino]carbonyl]-2,2-dimethyl- [ACD/Index Name]
1310936-46-9 [RN]
3-(2,3-Dimethoxy-benzylcarbamoyl)-2,2-dimethyl-cyclopropanecarboxylic acid
3-[(2,3-dimethoxyphenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 525.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±3.0 kJ/mol
    Flash Point: 271.7±30.1 °C
    Index of Refraction: 1.545
    Molar Refractivity: 79.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): 0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.92
    ACD/LogD (pH 7.4): -1.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 252.7±3.0 cm3

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