| CAS Number | 111429-90-4 |
| Catalog Number | AG00965G(AGN-PC-0P227L) |
| Chemical Name | Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate |
| IUPAC Name | methyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate |
| InChI | InChI=1S/C15H15NO6/c1-21-13(18)8-10(17)9-22-7-6-16-14(19)11-4-2-3-5-12(11)15(16)20/h2-5H,6-9H2,1H3 |
| InChI Key | REMRSOODVLLZCK-UHFFFAOYSA-N |
| MDL Number | MFCD26385799 |
| Molecular Formula | C15H15NO6 |
| Molecular Weight | 305.2827 |
| SMILES | COC(=O)CC(=O)COCCN1C(=O)c2c(C1=O)cccc2 |
| Synonyms | 111429-90-4,
Methyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate,
4-[2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-3-oxobutanoic Acid Methyl Ester,
methyl 4-[2-(phthalimido)-ethoxy]acetoacetate,
SCHEMBL4983346,
REMRSOODVLLZCK-UHFFFAOYSA-N,
MFCD26385799,
AKOS027446633,
CS-0061875,
methyl 4-(2-(phthalimido)ethoxy)acetoacetate,
4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethoxy]-3-oxo-butyric acid methyl ester,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.286g/mol |
| Monoisotopic Mass | 305.09g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 90A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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