ChemSpider 2D Image | (4-{[2-(1,3-Benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenoxy)acetic acid | C19H13NO7

(4-{[2-(1,3-Benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenoxy)acetic acid

  • Molecular FormulaC19H13NO7
  • Average mass367.309 Da
  • Monoisotopic mass367.069214 Da
  • ChemSpider ID35374493

More details:

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

(4-{[2-(1,3-Benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
(4-{[2-(1,3-Benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenoxy)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]phenoxy]- [ACD/Index Name]
Acide (4-{[2-(1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidène]méthyl}phénoxy)acétique [French] [ACD/IUPAC 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: 579.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.1±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.62
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 246.8±7.0 cm3

Click to predict properties on the Chemicalize site


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