| CAS Number | 1261978-76-0 |
| Catalog Number | AG00HPEQ(AGN-PC-0WRAFE) |
| Chemical Name | 5-Hydroxy-3-(4-methylphenyl)benzoic acid |
| IUPAC Name | 3-hydroxy-5-(4-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)11-6-12(14(16)17)8-13(15)7-11/h2-8,15H,1H3,(H,16,17) |
| InChI Key | OZOSVHKOJNWPRJ-UHFFFAOYSA-N |
| MDL Number | MFCD18318956 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | Oc1cc(cc(c1)C(=O)O)c1ccc(cc1)C |
| Synonyms | 1261978-76-0,
5-HYDROXY-3-(4-METHYLPHENYL)BENZOIC ACID,
5-Hydroxy-4'-methyl-[1,1'-biphenyl]-3-carboxylic acid,
SCHEMBL16351982,
DTXSID60688621,
MFCD18318956,
ZINC65349486,
5-Hydroxy-4'-methyl[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 269 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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