ChemSpider 2D Image | 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid | C12H13NO4

3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid

  • Molecular FormulaC12H13NO4
  • Average mass235.236 Da
  • Monoisotopic mass235.084457 Da
  • ChemSpider ID21107185

More details:

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

2H-isoindole-2-acetic acid, 1,3-dihydro-a-(1-hydroxyethyl)-1-oxo-
2H-Isoindole-2-acetic acid, 1,3-dihydro-α-(1-hydroxyethyl)-1-oxo- [ACD/Index Name]
3-Hydroxy-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid [ACD/IUPAC Name]
3-Hydroxy-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butansäure [German] [ACD/IUPAC Name]
3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid
Acide 3-hydroxy-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoïque [French] [ACD/IUPAC Name]
MFCD24850048

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.3±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 167.2±3.0 cm3

Click to predict properties on the Chemicalize site


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