ChemSpider 2D Image | tert-Butyl 6-carboxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate | C19H23NO6

tert-Butyl 6-carboxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

  • Molecular FormulaC19H23NO6
  • Average mass361.389 Da
  • Monoisotopic mass361.152527 Da
  • ChemSpider ID24958031

More details:

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

1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidine]-6-carbonsäure [German] [ACD/IUPAC Name]
1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidine]-6-carboxylic acid [ACD/IUPAC Name]
921760-85-2 [RN]
Acide 1'-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidine]-6-carboxylique [French] [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,4'-piperidine]-1',6-dicarboxylic acid, 3,4-dihydro-4-oxo-, 1'-(1,1-dimethylethyl) ester [ACD/Index Name]
tert-Butyl 6-carboxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
1'-(tert-Butoxycarbonyl)-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-6-carboxylic acid
1'-(tert-butoxycarbonyl)-4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-6-carboxylic acid
1'-(tert-Butoxycarbonyl)-4-oxospiro[chroman-2,4'-piperidine]-6-carboxylic acid
1'-[(tert-butoxy)carbonyl]-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-6-carboxylic acid
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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: 553.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.8±3.0 kJ/mol
    Flash Point: 288.5±30.1 °C
    Index of Refraction: 1.592
    Molar Refractivity: 92.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.47
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 12.34
    ACD/KOC (pH 5.5): 81.31
    ACD/LogD (pH 7.4): 0.71
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.67
    Polar Surface Area: 93 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 58.9±5.0 dyne/cm
    Molar Volume: 272.2±5.0 cm3

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