Found 18 results

Search term: C12H12O7S (Found by molecular formula)
ChemSpider 2D Image | {3-[(1,1-Dioxido-3-thietanyl)oxy]-4-methoxyphenyl}(oxo)acetic acid | C12H12O7S

{3-[(1,1-Dioxido-3-thietanyl)oxy]-4-methoxyphenyl}(oxo)acetic acid

  • Molecular FormulaC12H12O7S
  • Average mass300.284 Da
  • Monoisotopic mass300.030365 Da
  • ChemSpider ID76479862

More details:

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

{3-[(1,1-Dioxido-3-thietanyl)oxy]-4-methoxyphenyl}(oxo)acetic acid [ACD/IUPAC Name]
{3-[(1,1-Dioxido-3-thietanyl)oxy]-4-methoxyphenyl}(oxo)essigsäure [German] [ACD/IUPAC Name]
Acide {3-[(1,1-dioxydo-3-thiétanyl)oxy]-4-méthoxyphényl}(oxo)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[(1,1-dioxido-3-thietanyl)oxy]-4-methoxy-α-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.4±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 197.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement