| CAS Number | 1170833-71-2 |
| Catalog Number | AG00HDSM |
| Chemical Name | 4-(2,4-Dimethylphenyl)benzoic acid |
| IUPAC Name | 4-(2,4-dimethylphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O2/c1-10-3-8-14(11(2)9-10)12-4-6-13(7-5-12)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | AWHSTQFMFDLAFO-UHFFFAOYSA-N |
| MDL Number | MFCD12403277 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | CC1=CC(C)=C(C2=CC=C(C(O)=O)C=C2)C=C1 |
| Synonyms | 4-(2,4-DIMETHYLPHENYL)BENZOIC ACID,
1170833-71-2,
2',4'-Dimethyl-[1,1'-biphenyl]-4-carboxylic acid,
SCHEMBL3743914,
DTXSID60656542,
MFCD12403277,
AKOS002683133,
2',4'-Dimethyl[1,1'-biphenyl]-4-carboxylic acid,
|
| Complexity | 266 |
| 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 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number