ChemSpider 2D Image | 5-{3-[(2-Carboxyethyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}-2-hydroxybenzoic acid | C14H13NO7S

5-{3-[(2-Carboxyethyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}-2-hydroxybenzoic acid

  • Molecular FormulaC14H13NO7S
  • Average mass339.320 Da
  • Monoisotopic mass339.041260 Da
  • ChemSpider ID23367445

More details:

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

5-{3-[(2-Carboxyethyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-{3-[(2-Carboxyethyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}-2-hydroxybenzoic acid [ACD/IUPAC Name]
5-{3-[(2-Carboxyethyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}-2-hydroxybenzoic acid
Acide 5-{3-[(2-carboxyéthyl)sulfanyl]-2,5-dioxo-1-pyrrolidinyl}-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[3-[(2-carboxyethyl)thio]-2,5-dioxo-1-pyrrolidinyl]-2-hydroxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 781.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 78.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 98.4±5.0 dyne/cm
Molar Volume: 203.1±5.0 cm3

Click to predict properties on the Chemicalize site


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