ChemSpider 2D Image | Thieno[2,3-d][1,2]oxazol-3-ylacetic acid | C7H5NO3S

Thieno[2,3-d][1,2]oxazol-3-ylacetic acid

  • Molecular FormulaC7H5NO3S
  • Average mass183.184 Da
  • Monoisotopic mass182.999008 Da
  • ChemSpider ID26581702

More details:

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

Acide thiéno[2,3-d][1,2]oxazol-3-ylacétique [French] [ACD/IUPAC Name]
Thieno[2,3-d][1,2]oxazol-3-ylacetic acid [ACD/IUPAC Name]
Thieno[2,3-d][1,2]oxazol-3-ylessigsäure [German] [ACD/IUPAC Name]
Thieno[2,3-d]isoxazole-3-acetic acid [ACD/Index Name]
112499-92-0 [RN]
MFCD18381170
Thieno[2,3-d]-isoxazole-3-acetic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 388.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 188.8±23.7 °C
Index of Refraction: 1.679
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.53
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 116.5±3.0 cm3

Click to predict properties on the Chemicalize site


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