ChemSpider 2D Image | 3-formyl-4-oxochromen-6-yl acetate | C12H8O5

3-formyl-4-oxochromen-6-yl acetate

  • Molecular FormulaC12H8O5
  • Average mass232.189 Da
  • Monoisotopic mass232.037170 Da
  • ChemSpider ID21475680

More details:

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

3-Formyl-4-oxo-4H-chromen-6-yl acetate [ACD/IUPAC Name]
3-Formyl-4-oxo-4H-chromen-6-yl-acetat [German] [ACD/IUPAC Name]
3-formyl-4-oxochromen-6-yl acetate
4H-1-Benzopyran-3-carboxaldehyde, 6-(acetyloxy)-4-oxo- [ACD/Index Name]
69155-77-7 [RN]
Acétate de 3-formyl-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]
(3-formyl-4-oxochromen-6-yl) acetate
Acetic acid 3-formyl-4-oxo-4H-chromen-6-yl ester
Acetic acid, 3-formyl-4-oxo-4H-1-benzopyran-6-yl ester

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

MFCD08445353 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 395.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 178.7±27.9 °C
Index of Refraction: 1.645
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.13
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.13
Polar Surface Area: 70 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 159.3±3.0 cm3

Click to predict properties on the Chemicalize site


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