ChemSpider 2D Image | MFCD04114479 | C18H17NO4

MFCD04114479

  • Molecular FormulaC18H17NO4
  • Average mass311.332 Da
  • Monoisotopic mass311.115753 Da
  • ChemSpider ID26554238

More details:

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

1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
2-{[(Benzyloxy)carbonyl]amino}-2-indancarbonsäure [German] [ACD/IUPAC Name]
2-{[(Benzyloxy)carbonyl]amino}-2-indanecarboxylic acid [ACD/IUPAC Name]
2-Cbz-amino-indan-2-carboxylic acid
91733-75-4 [RN]
Acide 2-{[(benzyloxy)carbonyl]amino}-2-indanecarboxylique [French] [ACD/IUPAC Name]
MFCD04114479
[91733-75-4] [RN]
2-(((Benzyloxy)carbonyl)amino)-2,3-dihydro-1H-indene-2-carboxylic acid
2-(PHENYLMETHOXY)CARBONYL-AMINO-INDAN-2-CARBOXYLIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 541.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 281.5±30.1 °C
    Index of Refraction: 1.638
    Molar Refractivity: 84.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.75
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 1.90
    ACD/KOC (pH 5.5): 14.40
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 61.9±5.0 dyne/cm
    Molar Volume: 234.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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