ChemSpider 2D Image | 3-(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid | C10H11BO4

3-(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid

  • Molecular FormulaC10H11BO4
  • Average mass206.003 Da
  • Monoisotopic mass206.075043 Da
  • ChemSpider ID26379617

More details:

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

2,1-Benzoxaborole-7-propanoic acid, 1,3-dihydro-1-hydroxy- [ACD/Index Name]
3-(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid [ACD/IUPAC Name]
3-(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoïque [French] [ACD/IUPAC Name]
1268335-33-6 [RN]
3-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 402.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 197.4±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 51.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
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: 67 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 156.7±5.0 cm3

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