ChemSpider 2D Image | 3-{[(1E)-1-Carboxy-1-buten-1-yl]oxy}-2-hydroxybenzoic acid | C12H12O6

3-{[(1E)-1-Carboxy-1-buten-1-yl]oxy}-2-hydroxybenzoic acid

  • Molecular FormulaC12H12O6
  • Average mass252.220 Da
  • Monoisotopic mass252.063385 Da
  • ChemSpider ID34542525
  • Double-bond stereo - Double-bond stereo


More details:






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

3-{[(1E)-1-Carboxy-1-buten-1-yl]oxy}-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
3-{[(1E)-1-Carboxy-1-buten-1-yl]oxy}-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-{[(1E)-1-carboxy-1-butén-1-yl]oxy}-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(1E)-1-carboxy-1-buten-1-yl]oxy]-2-hydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 186.2±22.2 °C
Index of Refraction: 1.608
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 178.5±3.0 cm3

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