| CAS Number | 424791-15-1 |
| Catalog Number | AG01A6DX |
| Chemical Name | methyl 2-(benzyloxy)-4-methylbenzoate |
| IUPAC Name | methyl 4-methyl-2-phenylmethoxybenzoate |
| InChI | InChI=1S/C16H16O3/c1-12-8-9-14(16(17)18-2)15(10-12)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3 |
| InChI Key | KGPPCVPFJVYYGT-UHFFFAOYSA-N |
| MDL Number | MFCD01415809 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | COC(C1=C(OCC2=CC=CC=C2)C=C(C)C=C1)=O |
| Synonyms | methyl 2-(benzyloxy)-4-methylbenzoate,
424791-15-1,
ZINC75278574,
AKOS034089003,
MCULE-1752018820,
NE55145,
Z295137132,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.301g/mol |
| Monoisotopic Mass | 256.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number