ChemSpider 2D Image | Methyl 1-(phenylsulfonyl)-3-azetidinecarboxylate | C11H13NO4S

Methyl 1-(phenylsulfonyl)-3-azetidinecarboxylate

  • Molecular FormulaC11H13NO4S
  • Average mass255.290 Da
  • Monoisotopic mass255.056534 Da
  • ChemSpider ID28295409

More details:

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

1-(Phénylsulfonyl)-3-azétidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
1334499-99-8 [RN]
3-Azetidinecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester [ACD/Index Name]
Methyl 1-(phenylsulfonyl)-3-azetidinecarboxylate [ACD/IUPAC Name]
Methyl 1-(phenylsulfonyl)azetidine-3-carboxylate
Methyl-1-(phenylsulfonyl)-3-azetidincarboxylat [German] [ACD/IUPAC Name]
[1334499-99-8] [RN]
METHYL 1-(BENZENESULFONYL)AZETIDINE-3-CARBOXYLATE
Methyl1-(benzenesulfonyl)azetidine-3-carboxylate
METHYL-1-(PHENYLSULFONYL)AZETIDINE-3-CARBOXYLATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 382.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 184.9±30.7 °C
    Index of Refraction: 1.582
    Molar Refractivity: 62.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 5.26
    ACD/KOC (pH 5.5): 114.25
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 5.26
    ACD/KOC (pH 7.4): 114.25
    Polar Surface Area: 72 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 186.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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