ChemSpider 2D Image | Methyl 13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carboxylate | C14H17NO8

Methyl 13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carboxylate

  • Molecular FormulaC14H17NO8
  • Average mass327.287 Da
  • Monoisotopic mass327.095428 Da
  • ChemSpider ID59759205

More details:

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

1,4,7,10-Benzotetraoxacyclododecin-12-carboxylic acid, 2,3,5,6,8,9-hexahydro-13-nitro-, methyl ester [ACD/Index Name]
13-Nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotétraoxacyclododécine-12-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carboxylate [ACD/IUPAC Name]
Methyl-13-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-carboxylat [German] [ACD/IUPAC Name]
1403772-23-5 [RN]
METHYL 13-NITRO-2,3,5,6,8,9-HEXAHYDROBENZO[B][1,4,7,10]TETRAOXACYCLODODECINE-12-CARBOXYLATE
MFCD30491353

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 472.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 200.7±30.7 °C
    Index of Refraction: 1.512
    Molar Refractivity: 77.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): 0.79
    ACD/BCF (pH 5.5): 2.36
    ACD/KOC (pH 5.5): 64.25
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 2.36
    ACD/KOC (pH 7.4): 64.25
    Polar Surface Area: 109 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 47.1±3.0 dyne/cm
    Molar Volume: 256.6±3.0 cm3

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