| CAS Number | 328396-03-8 |
| Catalog Number | AG01A83X |
| Chemical Name | Ethyl 3-[4-(benzyloxy)phenyl]-3-hydroxypropanoate |
| IUPAC Name | ethyl 3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate |
| InChI | InChI=1S/C18H20O4/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3 |
| InChI Key | JLOHCJGAMMDPLV-UHFFFAOYSA-N |
| MDL Number | MFCD16547520 |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.3490 |
| SMILES | CCOC(CC(C1=CC=C(OCC2=CC=CC=C2)C=C1)O)=O |
| Synonyms | ethyl 3-[4-(benzyloxy)phenyl]-3-hydroxypropanoate,
328396-03-8,
ethyl 3-(4-(benzyloxy)phenyl)-3-hydroxypropanoate,
154140-38-2,
ethyl (3S)-3-[4-(benzyloxy)phenyl]-3-hydroxypropanoate,
AC1Q34OT,
SCHEMBL232540,
JLOHCJGAMMDPLV-UHFFFAOYSA-N,
AKOS033189169,
MCULE-5610052456,
NE15979,
FT-0765495,
EN300-60661,
ethyl 3-(4-benzyloxyphenyl)-3-hydroxypropionate,
Z1245633925,
3-Hydroxy-3-(4-benzyloxyphenyl)propanoic acid ethyl ester,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.354g/mol |
| Monoisotopic Mass | 300.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number