Found 12 results

Search term: MF = 'C_{22}H_{12}O_{5}'
ChemSpider 2D Image | 5-Ethynyl-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | C22H12O5

5-Ethynyl-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

  • Molecular FormulaC22H12O5
  • Average mass356.328 Da
  • Monoisotopic mass356.068481 Da
  • ChemSpider ID28560496

More details:

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

5-Ethinyl-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
5-Ethynyl-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
Acide 5-éthynyl-2-(6-hydroxy-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-ethynyl-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
5-ETHYNYL-2-(3-HYDROXY-6-OXOXANTHEN-9-YL)BENZOIC ACID
918152-36-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 672.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 246.3±25.0 °C
Index of Refraction: 1.755
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 32.29
ACD/KOC (pH 5.5): 160.48
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 5.25
Polar Surface Area: 84 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 233.3±5.0 cm3

Click to predict properties on the Chemicalize site


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