Found 16 results

Search term: MF = 'C_{9}H_{13}BO_{4}S'
ChemSpider 2D Image | 3-Hydroxypropyl hydrogen (5-formyl-4-methyl-2-thienyl)boronate | C9H13BO4S

3-Hydroxypropyl hydrogen (5-formyl-4-methyl-2-thienyl)boronate

  • Molecular FormulaC9H13BO4S
  • Average mass228.073 Da
  • Monoisotopic mass228.062759 Da
  • ChemSpider ID68898077

More details:

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

3-Hydroxypropyl hydrogen (5-formyl-4-methyl-2-thienyl)boronate [ACD/IUPAC Name]
3-Hydroxypropyl-hydrogen(5-formyl-4-methyl-2-thienyl)borat [German] [ACD/IUPAC Name]
Boronic acid, B-(5-formyl-4-methyl-2-thienyl)-, mono(3-hydroxypropyl) ester [ACD/Index Name]
Hydrogéno(5-formyl-4-méthyl-2-thiényl)boronate de 3-hydroxypropyle [French] [ACD/IUPAC Name]
3-HYDROXYPROPYL HYDROGEN (5-FORMYL-4-METHYLTHIOPHEN-2-YL)BORONATE
3-HYDROXYPROPYL HYDROGEN 5-FORMYL-4-METHYLTHIOPHEN-2-YLBORONATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 425.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 210.9±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 56.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.73
ACD/KOC (pH 5.5): 135.23
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 46.12
Polar Surface Area: 95 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 182.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement