ChemSpider 2D Image | 2'-Benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid | C21H21NO3

2'-Benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid

  • Molecular FormulaC21H21NO3
  • Average mass335.396 Da
  • Monoisotopic mass335.152130 Da
  • ChemSpider ID21859001

More details:

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

2'-Benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carbonsäure [German] [ACD/IUPAC Name]
2'-Benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid [ACD/IUPAC Name]
Acide 2'-benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylique [French] [ACD/IUPAC Name]
Spiro[cyclopentane-1,3'(2'H)-isoquinoline]-4'-carboxylic acid, 1',4'-dihydro-1'-oxo-2'-(phenylmethyl)- [ACD/Index Name]
1217531-04-8 [RN]
2'-Benzyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclo-pentane-1,3'-isoquinoline]-4'-carboxylic acid
2'-Benzyl-1'-oxo-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
2-benzyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid
2-benzyl-1-oxo-spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid
MFCD15730874 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 566.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.5±3.0 kJ/mol
    Flash Point: 296.5±30.1 °C
    Index of Refraction: 1.655
    Molar Refractivity: 94.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 5.31
    ACD/KOC (pH 5.5): 41.53
    ACD/LogD (pH 7.4): 0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 62.4±5.0 dyne/cm
    Molar Volume: 258.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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