ChemSpider 2D Image | (3'-Hydroxy-2'-methyl-2',5',6',7'-tetrahydrospiro[cyclopent-2-ene-1,4'-pyrazolo[4,3-c]pyridin]-2-yl)boronic acid | C11H16BN3O3

(3'-Hydroxy-2'-methyl-2',5',6',7'-tetrahydrospiro[cyclopent-2-ene-1,4'-pyrazolo[4,3-c]pyridin]-2-yl)boronic acid

  • Molecular FormulaC11H16BN3O3
  • Average mass249.074 Da
  • Monoisotopic mass249.128479 Da
  • ChemSpider ID90094719

More details:

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

(3'-Hydroxy-2'-methyl-2',5',6',7'-tetrahydrospiro[cyclopent-2-ene-1,4'-pyrazolo[4,3-c]pyridin]-2-yl)boronic acid [ACD/IUPAC Name]
Boronic acid, B-(2',5',6',7'-tetrahydro-3'-hydroxy-2'-methylspiro[cyclopent-2-ene-1,4'-[4H]pyrazolo[4,3-c]pyridin]-2-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 545.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.5±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 63.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 36.63
Polar Surface Area: 91 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 165.7±7.0 cm3

Click to predict properties on the Chemicalize site


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