ChemSpider 2D Image | 5-(4-Carboxy-4-hydroxy-1-butyn-1-yl)-2-hydroxyisophthalic acid | C13H10O8

5-(4-Carboxy-4-hydroxy-1-butyn-1-yl)-2-hydroxyisophthalic acid

  • Molecular FormulaC13H10O8
  • Average mass294.214 Da
  • Monoisotopic mass294.037567 Da
  • ChemSpider ID89177901

More details:

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

1,3-Benzenedicarboxylic acid, 5-(4-carboxy-4-hydroxy-1-butyn-1-yl)-2-hydroxy- [ACD/Index Name]
5-(4-Carboxy-4-hydroxy-1-butin-1-yl)-2-hydroxyisophthalsäure [German] [ACD/IUPAC Name]
5-(4-Carboxy-4-hydroxy-1-butyn-1-yl)-2-hydroxyisophthalic acid [ACD/IUPAC Name]
Acide 5-(4-carboxy-4-hydroxy-1-butyn-1-yl)-2-hydroxyisophtalique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 653.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 362.8±28.0 °C
Index of Refraction: 1.714
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 124.4±5.0 dyne/cm
Molar Volume: 166.0±5.0 cm3

Click to predict properties on the Chemicalize site


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