| CAS Number | 1261902-83-3 |
| Catalog Number | AG009WT0(AGN-PC-0WNPNU) |
| Chemical Name | 2-(4-Methoxyphenyl)-6-methylbenzoic acid |
| IUPAC Name | 2-(4-methoxyphenyl)-6-methylbenzoic acid |
| InChI | InChI=1S/C15H14O3/c1-10-4-3-5-13(14(10)15(16)17)11-6-8-12(18-2)9-7-11/h3-9H,1-2H3,(H,16,17) |
| InChI Key | FPVPYIAJLDXVQR-UHFFFAOYSA-N |
| MDL Number | MFCD18319515 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COc1ccc(cc1)c1cccc(c1C(=O)O)C |
| Synonyms | 2-(4-METHOXYPHENYL)-6-METHYLBENZOIC ACID,
1261902-83-3,
DTXSID30689165,
MFCD18319515,
ZINC65349976,
K-2277,
4'-Methoxy-3-methyl[1,1'-biphenyl]-2-carboxylic acid,
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| Complexity | 282 |
| 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