ChemSpider 2D Image | tert-Butyl 5'-acetyl-3'H-spiro[azetidine-3,1'-isobenzofuran]-1-carboxylate | C17H21NO4

tert-Butyl 5'-acetyl-3'H-spiro[azetidine-3,1'-isobenzofuran]-1-carboxylate

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID30987867

More details:

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

1,1-Dimethylethyl 5'-acetylspiro[azetidine-3,1'(3'H)-isobenzofuran]-1-carboxylate
1398609-81-8 [RN]
Spiro[azetidine-3,1'(3'H)-isobenzofuran]-1-carboxylic acid, 5'-acetyl-, 1,1-dimethylethyl ester [ACD/Index Name]
T56 BXO DHJ GV1 B-& CT5N CXTJ AVOX1&1&1 [WLN]
tert-Butyl 5'-acetyl-3'H-spiro[azetidine-3,1'-isobenzofuran]-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl 5'-acetyl-1H,3'H-spiro[azetidine-3,1'-[2]benzofuran]-1-carboxylate [ACD/IUPAC Name]
5-acetylspiro[azetidine-3,1(3h)-isobenzofuran]-1-carboxylic acid, 1,1-dimethylethyl ester
5'-Acetylspiro[azetidine-3,1'(3'H)-isobenzofuran]-1-carboxylic acid, 1,1-dimethylethyl ester
5'-Acetylspiro[azetidine-3,1'(3'H)-isobenzofuran]-1-carboxylic acid; 1,1-dimethylethyl ester
Chemistry 14655
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 455.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 229.5±28.7 °C
    Index of Refraction: 1.576
    Molar Refractivity: 81.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.49
    ACD/KOC (pH 5.5): 492.19
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.49
    ACD/KOC (pH 7.4): 492.19
    Polar Surface Area: 56 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 49.6±5.0 dyne/cm
    Molar Volume: 245.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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