| CAS Number | 53090-45-2 |
| Catalog Number | AG00DOR7(AGN-PC-0SEE8P) |
| Chemical Name | Ethyl 3-[4-(benzyloxy)phenyl]-3-oxopropanoate |
| IUPAC Name | ethyl 3-oxo-3-(4-phenylmethoxyphenyl)propanoate |
| InChI | InChI=1S/C18H18O4/c1-2-21-18(20)12-17(19)15-8-10-16(11-9-15)22-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3 |
| InChI Key | CAGWWUITCSUUDU-UHFFFAOYSA-N |
| MDL Number | MFCD05148770 |
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.3331 |
| SMILES | CCOC(CC(C1=CC=C(OCC2=CC=CC=C2)C=C1)=O)=O |
| Synonyms | ethyl 3-[4-(benzyloxy)phenyl]-3-oxopropanoate,
53090-45-2,
Ethyl 3-oxo-3-(4-phenylmethoxyphenyl)propanoate,
ethyl 3-(4-(benzyloxy)phenyl)-3-oxopropanoate,
AC1N8D8V,
AC1Q34NB,
SCHEMBL377079,
ethyl-4-benzyloxybenzoylacetate,
CTK8J0494,
CAGWWUITCSUUDU-UHFFFAOYSA-N,
ZINC6349671,
MCULE-2249312551,
NE62336,
EN300-60662,
A1-05501,
3-(4-benzyloxy-phenyl)-3-oxo-propionic acid ethyl ester,
3-Oxo-3-[4-(benzyloxy)phenyl]propanoic acid ethyl ester,
BETA-OXO-4-(PHENYLMETHOXY)-BENZENEPROPANOIC ACID ETHYL ESTER,
CID4316945,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.338g/mol |
| Monoisotopic Mass | 298.121g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number