ChemSpider 2D Image | 4-(7-Methyl-2,5-dioxo-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-4-yl)benzoic acid | C16H12O6

4-(7-Methyl-2,5-dioxo-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-4-yl)benzoic acid

  • Molecular FormulaC16H12O6
  • Average mass300.263 Da
  • Monoisotopic mass300.063385 Da
  • ChemSpider ID34496566

More details:






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

4-(7-Methyl-2,5-dioxo-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-4-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(7-Methyl-2,5-dioxo-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-4-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(7-méthyl-2,5-dioxo-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-4-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(3,4-dihydro-7-methyl-2,5-dioxo-2H,5H-pyrano[4,3-b]pyran-4-yl)- [ACD/Index Name]
1676072-49-3 [RN]
4-(7-methyl-2,5-dioxo-2,3,4,5-tetrahydropyrano[4,3-b]pyran-4-yl)benzoic acid
4-(7-methyl-2,5-dioxo-3,4-dihydropyrano[3,2-c]pyran-4-yl)benzoic acid
C16H12O6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 219.7±23.6 °C
Index of Refraction: 1.641
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 23.60
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 203.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement