ChemSpider 2D Image | 4-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid | C12H10N2O3

4-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid

  • Molecular FormulaC12H10N2O3
  • Average mass230.219 Da
  • Monoisotopic mass230.069138 Da
  • ChemSpider ID35416541

More details:

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

4-{2-[(Hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{2-[(hydroxyimino)méthyl]-1H-pyrrol-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl]- [ACD/Index 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: 443.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 222.1±23.2 °C
Index of Refraction: 1.626
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 12.02
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 176.1±7.0 cm3

Click to predict properties on the Chemicalize site


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