| CAS Number | 2840-46-2 |
| Catalog Number | AG00BIGD(AGN-PC-022T10) |
| Chemical Name | 5-Methyl-2-phenylbenzoic acid |
| IUPAC Name | 5-methyl-2-phenylbenzoic acid |
| InChI | InChI=1S/C14H12O2/c1-10-7-8-12(13(9-10)14(15)16)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16) |
| InChI Key | UUBWFNDPWDNPTE-UHFFFAOYSA-N |
| MDL Number | MFCD11933361 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.2439 |
| SMILES | CC1=CC=C(C2=CC=CC=C2)C(=C1)C(O)=O |
| Synonyms | 2840-46-2,
5-METHYL-2-PHENYLBENZOIC ACID,
4-Methylbiphenyl-2-carboxylic acid,
4-Methyl-[1,1'-biphenyl]-2-carboxylic acid,
SCHEMBL3733709,
DTXSID50596625,
UUBWFNDPWDNPTE-UHFFFAOYSA-N,
4-methyl-2-biphenylcarboxylic acid,
MFCD11933361,
ZINC32002776,
AKOS015948516,
MCULE-5335928258,
NS-02399,
4-Methyl[1,1'-biphenyl]-2-carboxylic acid,
K-7069,
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| 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 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number