ChemSpider 2D Image | 3-[(3-Hydroxyphenyl)ethynyl]-2,4-thiophenedicarboxylic acid | C14H8O5S

3-[(3-Hydroxyphenyl)ethynyl]-2,4-thiophenedicarboxylic acid

  • Molecular FormulaC14H8O5S
  • Average mass288.275 Da
  • Monoisotopic mass288.009247 Da
  • ChemSpider ID87221027

More details:

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

2,4-Thiophenedicarboxylic acid, 3-[2-(3-hydroxyphenyl)ethynyl]- [ACD/Index Name]
3-[(3-Hydroxyphenyl)ethinyl]-2,4-thiophendicarbonsäure [German] [ACD/IUPAC Name]
3-[(3-Hydroxyphenyl)ethynyl]-2,4-thiophenedicarboxylic acid [ACD/IUPAC Name]
Acide 3-[(3-hydroxyphényl)éthynyl]-2,4-thiophènedicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 608.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.748
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 103.1±5.0 dyne/cm
Molar Volume: 174.5±5.0 cm3

Click to predict properties on the Chemicalize site


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