ChemSpider 2D Image | (2-{4-[(~2~H_3_)Methyloxy]-4-oxo-2-butanyl}-1-pyridiniumyl)(~2~H_2_)acetate | C12H10D5NO4

(2-{4-[(2H3)Methyloxy]-4-oxo-2-butanyl}-1-pyridiniumyl)(2H2)acetate

  • Molecular FormulaC12H10D5NO4
  • Average mass242.283 Da
  • Monoisotopic mass242.131485 Da
  • ChemSpider ID8856984

  • Non-standard isotope - Non-standard isotope

More details:

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

(2-{4-[(2H3)Methyloxy]-4-oxo-2-butanyl}-1-pyridiniumyl)(2H2)acetat [German] [ACD/IUPAC Name]
(2-{4-[(2H3)Methyloxy]-4-oxo-2-butanyl}-1-pyridiniumyl)(2H2)acetate [ACD/IUPAC Name]
(2-{4-[(2H3)Méthyloxy]-4-oxo-2-butanyl}-1-pyridiniumyl)(2H2)acétate [French] [ACD/IUPAC Name]
Pyridinium, 1-(carboxymethyl-d2)-2-[1-methyl-3-(methyl-d3-oxy)-3-oxopropyl]-, inner salt [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -3.57
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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