ChemSpider 2D Image | 3-[Acetyl(carboxymethyl)amino]phthalic acid | C12H11NO7

3-[Acetyl(carboxymethyl)amino]phthalic acid

  • Molecular FormulaC12H11NO7
  • Average mass281.218 Da
  • Monoisotopic mass281.053558 Da
  • ChemSpider ID21672834

More details:

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

1,2-Benzenedicarboxylic acid, 3-[acetyl(carboxymethyl)amino]- [ACD/Index Name]
3-[Acetyl(carboxymethyl)amino]phthalic acid [ACD/IUPAC Name]
3-[Acetyl(carboxymethyl)amino]phthalsäure [German] [ACD/IUPAC Name]
Acide 3-[acétyl(carboxyméthyl)amino]phtalique [French] [ACD/IUPAC Name]
3-[acetyl(carboxymethyl)amino]benzene-1,2-dicarboxylic acid
3-[N-(carboxymethyl)acetamido]benzene-1,2-dicarboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 625.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -5.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 86.1±3.0 dyne/cm
Molar Volume: 177.2±3.0 cm3

Click to predict properties on the Chemicalize site


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