ChemSpider 2D Image | 4-Hydroxy-2,3-dimethoxy-4-[(~2~H_3_)-1-propyn-1-yl]-2-cyclobuten-1-one | C9H7D3O4

4-Hydroxy-2,3-dimethoxy-4-[(2H3)-1-propyn-1-yl]-2-cyclobuten-1-one

  • Molecular FormulaC9H7D3O4
  • Average mass185.192 Da
  • Monoisotopic mass185.076736 Da
  • ChemSpider ID8925337

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Cyclobuten-1-one, 4-hydroxy-2,3-dimethoxy-4-(1-propyn-1-yl-d3)- [ACD/Index Name]
4-Hydroxy-2,3-dimethoxy-4-[(2H3)-1-propin-1-yl]-2-cyclobuten-1-on [German] [ACD/IUPAC Name]
4-Hydroxy-2,3-dimethoxy-4-[(2H3)-1-propyn-1-yl]-2-cyclobuten-1-one [ACD/IUPAC Name]
4-Hydroxy-2,3-diméthoxy-4-[(2H3)-1-propyn-1-yl]-2-cyclobutén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 395.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 164.1±21.4 °C
Index of Refraction: 1.532
Molar Refractivity: 44.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.08
ACD/KOC (pH 5.5): 111.37
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.52
ACD/KOC (pH 7.4): 99.07
Polar Surface Area: 56 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 142.8±5.0 cm3

Click to predict properties on the Chemicalize site


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