| CAS Number | 2102410-72-8 |
| Catalog Number | AG01DTII |
| Chemical Name | diethyl 2-(4-methylbenzyl)succinate |
| IUPAC Name | diethyl 2-[(4-methylphenyl)methyl]butanedioate |
| InChI | InChI=1S/C16H22O4/c1-4-19-15(17)11-14(16(18)20-5-2)10-13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3 |
| InChI Key | TZPIELREOZTDJK-UHFFFAOYSA-N |
| MDL Number | MFCD31555351 |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.3435 |
| SMILES | CCOC(=O)CC(Cc1ccc(C)cc1)C(=O)OCC |
| Synonyms | diethyl 2-(4-methylbenzyl)succinate,
2-(4-methyl-benzyl)-butanedioic acid diethyl ester,
2102410-72-8,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.348g/mol |
| Monoisotopic Mass | 278.152g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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