ChemSpider 2D Image | 4-coumaroyltriacetic acid lactone | C15H12O5

4-coumaroyltriacetic acid lactone

  • Molecular FormulaC15H12O5
  • Average mass272.253 Da
  • Monoisotopic mass272.068481 Da
  • ChemSpider ID30791104

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 4-hydroxy-6-[(3E)-4-(4-hydroxyphenyl)-2-oxo-3-buten-1-yl]- [ACD/Index Name]
4-coumaroyltriacetic acid lactone
4-Hydroxy-6-[(3E)-4-(4-hydroxyphenyl)-2-oxo-3-buten-1-yl]-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-6-[(3E)-4-(4-hydroxyphenyl)-2-oxo-3-buten-1-yl]-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-6-[(3E)-4-(4-hydroxyphényl)-2-oxo-3-butén-1-yl]-2H-pyran-2-one [French] [ACD/IUPAC Name]
4-hydroxy-6-[(3E)-4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl]-2H-pyran-2-one
p-coumaroyltriacetic acid lactone

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

C12087 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 195.4±23.6 °C
Index of Refraction: 1.677
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 23.23
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 192.0±3.0 cm3

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