| CAS Number | 1181381-20-3 |
| Catalog Number | AG003HJA(AGN-PC-0WP1PI) |
| Chemical Name | 2'-Methoxy-5'-methylbiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(2-methoxy-5-methylphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O3/c1-10-6-7-14(18-2)13(8-10)11-4-3-5-12(9-11)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | IQUVRKGPIQPCOJ-UHFFFAOYSA-N |
| MDL Number | MFCD11895636 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COc1ccc(cc1c1cccc(c1)C(=O)O)C |
| Synonyms | 1181381-20-3,
2'-METHOXY-5'-METHYLBIPHENYL-3-CARBOXYLIC ACID,
2-Methoxy-5-methylbiphenyl-3-carboxylic acid,
CTK4B0578,
DTXSID10680716,
MFCD11895636,
ZINC33427580,
AKOS012097826,
TR-034192,
K-1248,
2'-Methoxy-5'-methyl biphenyl-3-carboxylic acid,
2'-Methoxy-5'-methyl[1,1'-biphenyl]-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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number