ChemSpider 2D Image | 5-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(2-methoxy-2-oxoethyl)amino]-2-hydroxybenzoic acid | C17H21NO9

5-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(2-methoxy-2-oxoethyl)amino]-2-hydroxybenzoic acid

  • Molecular FormulaC17H21NO9
  • Average mass383.350 Da
  • Monoisotopic mass383.121643 Da
  • ChemSpider ID108616314

More details:

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

5-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(2-methoxy-2-oxoethyl)amino]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(1,3-Diethoxy-1,3-dioxo-2-propanyl)(2-methoxy-2-oxoethyl)amino]-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[(1,3-diéthoxy-1,3-dioxo-2-propanyl)(2-méthoxy-2-oxoéthyl)amino]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(3-carboxy-4-hydroxyphenyl)(2-methoxy-2-oxoethyl)amino]-, 1,3-diethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.6±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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