| CAS Number | 1037072-57-3 |
| Catalog Number | AG008WRG(AGN-PC-0WBN8K) |
| Chemical Name | Methyl 3-(benzyloxy)-4-hydroxybenzoate |
| IUPAC Name | methyl 4-hydroxy-3-phenylmethoxybenzoate |
| InChI | InChI=1S/C15H14O4/c1-18-15(17)12-7-8-13(16)14(9-12)19-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3 |
| InChI Key | OGCHXLZPWLRMNN-UHFFFAOYSA-N |
| MDL Number | MFCD23110745 |
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.2693 |
| SMILES | COC(=O)c1ccc(O)c(OCc2ccccc2)c1 |
| Synonyms | Methyl 3-(benzyloxy)-4-hydroxybenzoate,
1037072-57-3,
ZINC13481507,
FT-0669417,
3-(Benzyloxy)-4-hydroxybenzoic acid methyl ester,
Methyl 4-(benzyloxy)-3-hydroxybenzoate,
4-Hydroxy-3-(benzyloxy)-benzoic Acid Methyl Ester,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.273g/mol |
| Monoisotopic Mass | 258.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number