| CAS Number | 717837-43-9 |
| Catalog Number | AG00FGXP(AGN-PC-0OH0Y0) |
| Chemical Name | Methyl 2-(2,5-dimethoxyphenyl)benzoate |
| IUPAC Name | methyl 2-(2,5-dimethoxyphenyl)benzoate |
| InChI | InChI=1S/C16H16O4/c1-18-11-8-9-15(19-2)14(10-11)12-6-4-5-7-13(12)16(17)20-3/h4-10H,1-3H3 |
| InChI Key | AYUNSTUJGSLMOX-UHFFFAOYSA-N |
| MDL Number | MFCD24448854 |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.2958 |
| SMILES | COc1ccc(c(c1)c1ccccc1C(=O)OC)OC |
| Synonyms | Methyl 2-(2,5-dimethoxyphenyl)benzoate,
717837-43-9,
Methyl 2',5'-dimethoxy-[1,1'-biphenyl]-2-carboxylate,
ZINC95495529,
CJ-22690,
2',5'-Dimethoxybiphenyl-2-carboxylic acid methyl ester,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.3g/mol |
| Monoisotopic Mass | 272.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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