Found 32 results

Search term: MF = 'C_{16}H_{12}O_{6}S'
ChemSpider 2D Image | {[7-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl]oxy}acetic acid | C16H12O6S

{[7-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl]oxy}acetic acid

  • Molecular FormulaC16H12O6S
  • Average mass332.328 Da
  • Monoisotopic mass332.035461 Da
  • ChemSpider ID25574048

More details:

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

{[7-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl]oxy}acetic acid [ACD/IUPAC Name]
{[7-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl]oxy]- [ACD/Index Name]
Acide {[7-(4-méthoxyphényl)-2-oxo-1,3-benzoxathiol-5-yl]oxy}acétique [French] [ACD/IUPAC Name]
2-[7-(4-methoxyphenyl)-2-oxobenzo[3,4-d]1,3-oxathiolen-5-yloxy]acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 569.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.1±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 230.0±3.0 cm3

Click to predict properties on the Chemicalize site


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