| CAS Number | 117823-72-0 |
| Catalog Number | AG019EPR(AGN-PC-0NZEVX) |
| Chemical Name | 1,4-diethyl 2-[(3-methoxyphenyl)methyl]butanedioate |
| IUPAC Name | diethyl 2-[(3-methoxyphenyl)methyl]butanedioate |
| InChI | InChI=1S/C16H22O5/c1-4-20-15(17)11-13(16(18)21-5-2)9-12-7-6-8-14(10-12)19-3/h6-8,10,13H,4-5,9,11H2,1-3H3 |
| InChI Key | UFPISTONGFDTDR-UHFFFAOYSA-N |
| MDL Number | MFCD31555350 |
| Molecular Formula | C16H22O5 |
| Molecular Weight | 294.3429 |
| SMILES | CCOC(=O)CC(Cc1cccc(OC)c1)C(=O)OCC |
| Synonyms | diethyl 2-(3-methoxybenzyl)succinate,
117823-72-0,
CS-0037127,
diethyl 2-(3-methoxybenzyl)succinate(WXC07001),
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| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.347g/mol |
| Monoisotopic Mass | 294.147g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number