| CAS Number | 1261976-44-6 |
| Catalog Number | AG009X00(AGN-PC-0WA95W) |
| Chemical Name | 4-(3-Carboxyphenyl)-2-methylphenol |
| IUPAC Name | 3-(4-hydroxy-3-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H12O3/c1-9-7-11(5-6-13(9)15)10-3-2-4-12(8-10)14(16)17/h2-8,15H,1H3,(H,16,17) |
| InChI Key | TUHRITZSPQMTDN-UHFFFAOYSA-N |
| MDL Number | MFCD18313223 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | OC(=O)c1cccc(c1)c1ccc(c(c1)C)O |
| Synonyms | 4-(3-CARBOXYPHENYL)-2-METHYLPHENOL,
1261976-44-6,
DTXSID00683812,
MFCD18313223,
ZINC65340363,
AKOS024438457,
4'-Hydroxy-3'-methyl[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.247g/mol |
| Monoisotopic Mass | 228.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number