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87-13-8 | Diethyl ethoxymethylenemalonate
CAS No: 87-13-8 Catalog No: AG0034QA MDL No:MFCD00009148
Product Description
Catalog Number:
AG0034QA
Chemical Name:
Diethyl ethoxymethylenemalonate
CAS Number:
87-13-8
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
MDL Number:
MFCD00009148
IUPAC Name:
diethyl 2-(ethoxymethylidene)propanedioate
InChI:
InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3
InChI Key:
LTMHNWPUDSTBKD-UHFFFAOYSA-N
SMILES:
CCOC=C(C(=O)OCC)C(=O)OCC
EC Number:
201-725-7
UNII:
6KF8220SZ8
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Comparison of amino acid derivatization reagents for LC-ESI-MS analysis. Introducing a novel phosphazene-based derivatization reagent. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20120901 |
| Comparison of three buffer solutions for amino acid derivatization and following analysis by liquid chromatography electrospray mass spectrometry. | Journal of chromatography. A 20120706 |
| Validation of a method for the analysis of biogenic amines: histamine instability during wine sample storage. | Analytica chimica acta 20120630 |
| Influence of boric acid on electrospray ionization efficiency. | European journal of mass spectrometry (Chichester, England) 20120101 |
| Analysis of selenomethylselenocysteine and selenomethionine by LC-ESI-MS/MS with diethyl ethoxymethylenemalonate derivatization. | The Analyst 20111221 |
| Diethyl 2-[(4-bromo-anilino)methyl-idene]malonate. | Acta crystallographica. Section E, Structure reports online 20101201 |
| N-[(E)-Morpholin-4-yl-methyl-idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate. | Acta crystallographica. Section E, Structure reports online 20101201 |
| A sensitive method for free amino acids analysis by liquid chromatography with ultraviolet and mass spectrometric detection using precolumn derivatization with diethyl ethoxymethylenemalonate: application to the honey analysis. | Analytica chimica acta 20100705 |
| Evaluation of the botanical origin of estonian uni- and polyfloral honeys by amino acid content. | Journal of agricultural and food chemistry 20081126 |
| Simultaneous HPLC analysis of biogenic amines, amino acids, and ammonium ion as aminoenone derivatives in wine and beer samples. | Journal of agricultural and food chemistry 20070207 |
| Synthesis and pharmacology of pyrido[2,3-d]pyrimidinediones bearing polar substituents as adenosine receptor antagonists. | Bioorganic & medicinal chemistry 20060415 |
| Structures, biological activities, and total syntheses of 13-hydroxy- and 13-acetoxy-14-nordehydrocacalohastine, novel modified furanoeremophilane-type sesquiterpenes from Trichilia cuneata. | Organic letters 20050428 |
| Amino acids composition of Teucrium nutlet proteins and their systematic significance. | Annals of botany 20041001 |
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