| CAS Number | 1261914-18-4 |
| Catalog Number | AG00HL2S(AGN-PC-0WRAF7) |
| Chemical Name | 3-(2-Methylphenyl)-2-methylbenzoic acid |
| IUPAC Name | 2-methyl-3-(2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O2/c1-10-6-3-4-7-12(10)13-8-5-9-14(11(13)2)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | POCKWWUPOFGQDP-UHFFFAOYSA-N |
| MDL Number | MFCD18318907 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | Cc1ccccc1c1cccc(c1C)C(=O)O |
| Synonyms | 1261914-18-4,
3-(2-METHYLPHENYL)-2-METHYLBENZOIC ACID,
2,2'-Dimethyl-[1,1'-biphenyl]-3-carboxylic acid,
SCHEMBL5720757,
DTXSID80688582,
MFCD18318907,
ZINC65349446,
AKOS014880285,
2,2'-Dimethyl[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.275g/mol |
| Monoisotopic Mass | 226.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number