| CAS Number | 361576-28-5 |
| Catalog Number | AG00I760(AGN-PC-0RBOSU) |
| Chemical Name | Ethyl 3-[4-(benzyloxy)phenyl]-2-ethoxy-3-hydroxypropanoate |
| IUPAC Name | ethyl 2-ethoxy-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate |
| InChI | InChI=1S/C20H24O5/c1-3-23-19(20(22)24-4-2)18(21)16-10-12-17(13-11-16)25-14-15-8-6-5-7-9-15/h5-13,18-19,21H,3-4,14H2,1-2H3 |
| InChI Key | GZNXZJOPUMZMCY-UHFFFAOYSA-N |
| MDL Number | MFCD20265783 |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.4016 |
| SMILES | CCOC(C(c1ccc(cc1)OCc1ccccc1)O)C(=O)OCC |
| Synonyms | Ethyl 3-[4-(benzyloxy)phenyl]-2-ethoxy-3-hydroxypropanoate,
361576-28-5,
SCHEMBL5358921,
GZNXZJOPUMZMCY-UHFFFAOYSA-N,
3-(4-Benzyloxy-phenyl)-2-ethoxy-3-hydroxy-propionic acid ethyl ester,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.407g/mol |
| Monoisotopic Mass | 344.162g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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