Found 15 results

Search term: LNCSDWDMZZWUBD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[(1R,7S)-2-Methyl-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzoic acid | C17H15NO4

3-[(1R,7S)-2-Methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoic acid

  • Molecular FormulaC17H15NO4
  • Average mass297.305 Da
  • Monoisotopic mass297.100098 Da
  • ChemSpider ID22845715

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3-[(1R,7S)-2-Methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoesäure [German] [ACD/IUPAC Name]
3-[(1R,7S)-2-Methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoic acid [ACD/IUPAC Name]
Acide 3-[(1R,7S)-2-méthyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(4R,7S)-1,3,3a,4,7,7a-hexahydro-3a-methyl-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]- [ACD/Index Name]
1212444-47-7 [RN]
3-((4R,7S)-3a-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 586.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.2±3.0 kJ/mol
    Flash Point: 308.6±30.1 °C
    Index of Refraction: 1.662
    Molar Refractivity: 77.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 1.18
    ACD/KOC (pH 5.5): 15.31
    ACD/LogD (pH 7.4): -0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 64.7±3.0 dyne/cm
    Molar Volume: 208.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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