ChemSpider 2D Image | 5-Methoxy-4-nitro-2-{[(4-oxopentanoyl)oxy]methyl}benzoic acid | C14H15NO8

5-Methoxy-4-nitro-2-{[(4-oxopentanoyl)oxy]methyl}benzoic acid

  • Molecular FormulaC14H15NO8
  • Average mass325.271 Da
  • Monoisotopic mass325.079773 Da
  • ChemSpider ID28554474

More details:

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

5-Methoxy-4-nitro-2-{[(4-oxopentanoyl)oxy]methyl}benzoesäure [German] [ACD/IUPAC Name]
5-Methoxy-4-nitro-2-{[(4-oxopentanoyl)oxy]methyl}benzoic acid [ACD/IUPAC Name]
Acide 5-méthoxy-4-nitro-2-{[(4-oxopentanoyl)oxy]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(1,4-dioxopentyl)oxy]methyl]-5-methoxy-4-nitro- [ACD/Index Name]
514205-94-8 [RN]
5-Methoxy-4-nitro-2-(((4-oxopentanoyl)oxy)methyl)benzoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.6±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 237.3±3.0 cm3

Click to predict properties on the Chemicalize site


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