| CAS Number | 81948-56-3 |
| Catalog Number | AG00G9MN(AGN-PC-00KLBP) |
| Chemical Name | Methyl 2-methoxy-3-phenylbenzoate |
| IUPAC Name | methyl 2-methoxy-3-phenylbenzoate |
| InChI | InChI=1S/C15H14O3/c1-17-14-12(11-7-4-3-5-8-11)9-6-10-13(14)15(16)18-2/h3-10H,1-2H3 |
| InChI Key | UYAQXLIDRXWSOW-UHFFFAOYSA-N |
| MDL Number | MFCD06204215 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COC(=O)c1cccc(c1OC)c1ccccc1 |
| Synonyms | methyl 2-methoxy-3-phenylbenzoate,
81948-56-3,
SCHEMBL4831306,
ZINC39377725,
CJ-19958,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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