ChemSpider 2D Image | 4-(3,4-Dihydroxyphenyl)-3-buten-2-one | C10H10O3

4-(3,4-Dihydroxyphenyl)-3-buten-2-one

  • Molecular FormulaC10H10O3
  • Average mass178.185 Da
  • Monoisotopic mass178.062988 Da
  • ChemSpider ID26510825

More details:

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

3-Buten-2-one, 4-(3,4-dihydroxyphenyl)- [ACD/Index Name]
4-(3,4-Dihydroxyphenyl)-3-buten-2-on [German] [ACD/IUPAC Name]
4-(3,4-Dihydroxyphenyl)-3-buten-2-one [ACD/IUPAC Name]
4-(3,4-Dihydroxyphényl)-3-butén-2-one [French] [ACD/IUPAC Name]
123694-03-1 [RN]
3,4-dihydroxybenzalacetone
4-(3,4-Dihydroxyphenyl)but-3-en-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 382.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 199.3±21.6 °C
Index of Refraction: 1.637
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 12.00
ACD/KOC (pH 5.5): 206.05
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.83
ACD/KOC (pH 7.4): 203.24
Polar Surface Area: 58 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 140.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement