| CAS Number | 401573-78-2 |
| Catalog Number | AG01E71A(AGN-PC-00PG58) |
| Chemical Name | 4-Methyl-3-phenylbenzoic acid |
| IUPAC Name | 4-methyl-3-phenylbenzoic acid |
| InChI | InChI=1S/C14H12O2/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16) |
| InChI Key | LDKRQIDXIOXWKR-UHFFFAOYSA-N |
| MDL Number | MFCD11577105 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.2439 |
| SMILES | CC1=C(C2=CC=CC=C2)C=C(C(O)=O)C=C1 |
| Synonyms | 2-methylbiphenyl-5-carboxylic acid,
401573-78-2,
SCHEMBL2744081,
2-methyl-5-biphenylcarboxylic acid,
6-methylbiphenyl-3-carboxylic acid,
AKOS017561467,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.248g/mol |
| Monoisotopic Mass | 212.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number