Found 1 result

Search term: NSOQNTZEYPNPNN-AATRIKPKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-{(1E)-3-[(2,6-Dioxo-1-piperidinyl)oxy]-3-oxo-1-propen-1-yl}-6-methyl-2,4(1H,3H)-pyrimidinedione | C13H13N3O6

5-{(1E)-3-[(2,6-Dioxo-1-piperidinyl)oxy]-3-oxo-1-propen-1-yl}-6-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC13H13N3O6
  • Average mass307.259 Da
  • Monoisotopic mass307.080444 Da
  • ChemSpider ID23113285

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-[(1E)-3-[(2,6-dioxo-1-piperidinyl)oxy]-3-oxo-1-propen-1-yl]-6-methyl- [ACD/Index Name]
5-{(1E)-3-[(2,6-Dioxo-1-piperidinyl)oxy]-3-oxo-1-propen-1-yl}-6-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-{(1E)-3-[(2,6-Dioxo-1-piperidinyl)oxy]-3-oxo-1-propen-1-yl}-6-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-{(1E)-3-[(2,6-Dioxo-1-pipéridinyl)oxy]-3-oxo-1-propén-1-yl}-6-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-{[(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)prop-2-enoyl]oxy}piperidine-2,6-dione
3-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid 2,6-dioxo-piperidin-1-yl ester

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

Density: 1.6±0.1 g/cm3
Boiling Point: 589.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 310.2±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.24
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


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