ChemSpider 2D Image | OG-514 dye | C22H9F5O7S

OG-514 dye

  • Molecular FormulaC22H9F5O7S
  • Average mass512.360 Da
  • Monoisotopic mass511.998901 Da
  • ChemSpider ID8090001

More details:

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

4-[(Carboxymethyl)sulfanyl]-2-(2,7-difluor-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3,5,6-trifluorbenzoesäure [German] [ACD/IUPAC Name]
4-[(Carboxymethyl)sulfanyl]-2-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3,5,6-trifluorobenzoic acid [ACD/IUPAC Name]
Acide 4-[(carboxyméthyl)sulfanyl]-2-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthén-9-yl)-3,5,6-trifluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(carboxymethyl)thio]-2-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)-3,5,6-trifluoro- [ACD/Index Name]
OG-514 dye
7674699 [Beilstein]
OG 514
Oregon Green 514

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

Density: 1.8±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 107.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

Click to predict properties on the Chemicalize site


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