ChemSpider 2D Image | cis-Ethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate | C9H16N2O2

cis-Ethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

  • Molecular FormulaC9H16N2O2
  • Average mass184.236 Da
  • Monoisotopic mass184.121185 Da
  • ChemSpider ID24605520

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aS)-5-Ethoxycarbonyl-1H-hexahydropyrrolo[3,4-b]pyrrole
(3aS,6aS)-Hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1114985-14-6 [RN]
894854-14-9 [RN]
cis-Ethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
Ethyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate [ACD/IUPAC Name]
Ethyl-(3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, ethyl ester, (3aS,6aS)- [ACD/Index Name]
(3AS,6AS)-5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO-[3,4-B]PYRROLE
(3aS,6aS)-ethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1114985-14-6, 1186663-22-8 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 277.0±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.6±3.0 kJ/mol
    Flash Point: 121.3±19.8 °C
    Index of Refraction: 1.499
    Molar Refractivity: 48.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.10
    ACD/LogD (pH 5.5): -2.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 37.9±3.0 dyne/cm
    Molar Volume: 164.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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