ChemSpider 2D Image | 1-Oxo-1H-isoindole-4-carboxylic acid | C9H5NO3

1-Oxo-1H-isoindole-4-carboxylic acid

  • Molecular FormulaC9H5NO3
  • Average mass175.141 Da
  • Monoisotopic mass175.026947 Da
  • ChemSpider ID28536688

More details:

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

1H-Isoindole-4-carboxylic acid, 1-oxo- [ACD/Index Name]
1-Oxo-1H-isoindol-4-carbonsäure [German] [ACD/IUPAC Name]
1-Oxo-1H-isoindole-4-carboxylic acid [ACD/IUPAC Name]
Acide 1-oxo-1H-isoindole-4-carboxylique [French] [ACD/IUPAC Name]
1261740-37-7 [RN]
1824631-04-0 [RN]
1-Oxoisoindoline-4-carboxylic acid
MFCD23135852

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

Density: 1.5±0.1 g/cm3
Boiling Point: 426.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 211.8±29.3 °C
Index of Refraction: 1.687
Molar Refractivity: 44.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 116.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement