ChemSpider 2D Image | 3,4-Dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)methanone | C21H22BNO4

3,4-Dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)methanone

  • Molecular FormulaC21H22BNO4
  • Average mass363.215 Da
  • Monoisotopic mass363.164185 Da
  • ChemSpider ID72917067

More details:

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

3,4-Dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)methanon [German] [ACD/IUPAC Name]
3,4-Dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)methanone [ACD/IUPAC Name]
3,4-Dihydro-1'H-spiro[isochromene-1,4'-piperidin]-1'-yl(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, (1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)(3,4-dihydrospiro[1H-2-benzopyran-1,4'-piperidin]-1'-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.2±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 59 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 274.7±5.0 cm3

Click to predict properties on the Chemicalize site


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