| CAS Number | 1420800-42-5 |
| Catalog Number | AG009WZ5(AGN-PC-0WA66E) |
| Chemical Name | 2-Benzyloxy-6-methylbiphenyl-3'-carboxylic acid |
| IUPAC Name | 3-(2-methyl-6-phenylmethoxyphenyl)benzoic acid |
| InChI | InChI=1S/C21H18O3/c1-15-7-5-12-19(24-14-16-8-3-2-4-9-16)20(15)17-10-6-11-18(13-17)21(22)23/h2-13H,14H2,1H3,(H,22,23) |
| InChI Key | FAGKSKKDYFQVFJ-UHFFFAOYSA-N |
| MDL Number | MFCD22689143 |
| Molecular Formula | C21H18O3 |
| Molecular Weight | 318.3658 |
| SMILES | Cc1cccc(c1c1cccc(c1)C(=O)O)OCc1ccccc1 |
| Synonyms | 2-Benzyloxy-6-methylbiphenyl-3'-carboxylic acid,
1420800-42-5,
ZINC95495520,
AKOS026673342,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.372g/mol |
| Monoisotopic Mass | 318.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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