| CAS Number | 1215205-54-1 |
| Catalog Number | AG00155O(AGN-PC-0WP1PP) |
| Chemical Name | 3'-Methoxy-5'-methylbiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(3-methoxy-5-methylphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O3/c1-10-6-13(9-14(7-10)18-2)11-4-3-5-12(8-11)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | IPTDJCWCCVUXFE-UHFFFAOYSA-N |
| MDL Number | MFCD15143516 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COc1cc(C)cc(c1)c1cccc(c1)C(=O)O |
| Synonyms | 1215205-54-1,
3'-METHOXY-5'-METHYLBIPHENYL-3-CARBOXYLIC ACID,
3'-Methoxy-5'-methyl biphenyl-3-carboxylic acid,
CTK4B2422,
DTXSID20681794,
MFCD15143516,
ZINC65336959,
AKOS015851551,
TR-034536,
3'-Methoxy-5'-methyl[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 3'-methoxy-5'-methyl-,
3-Methoxy-5-methylbiphenyl-3-carboxylic acid,
3'-methoxy-5'-methylbiphenyl-3-carboxylicacid,
3/'-Methoxy-5/'-methylbiphenyl-3-carboxylic acid,
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| Complexity | 290 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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