ChemSpider 2D Image | Trans-4-(Maleimidomethyl)cyclohexanecarboxylic acid | C12H15NO4

Trans-4-(Maleimidomethyl)cyclohexanecarboxylic acid

  • Molecular FormulaC12H15NO4
  • Average mass237.252 Da
  • Monoisotopic mass237.100113 Da
  • ChemSpider ID24765245

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

69907-67-1 [RN]
Acide trans-4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]-, trans- [ACD/Index Name]
trans-4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexanecarboxylic acid
Trans-4-(Maleimidomethyl)cyclohexanecarboxylic acid
trans-4-[(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
(1r,4r)-4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
[69907-67-1] [RN]
4-((2,5-dioxo-2H-pyrrol-1(5H)-yl)methyl)cyclohexanecarboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7CN76JAX09 [DBID]
UNII:7CN76JAX09 [DBID]
UNII-7CN76JAX09 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 433.6±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±6.0 kJ/mol
    Flash Point: 216.0±21.2 °C
    Index of Refraction: 1.568
    Molar Refractivity: 58.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 0.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.53
    ACD/LogD (pH 7.4): -1.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 58.8±3.0 dyne/cm
    Molar Volume: 178.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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