| CAS Number | 1170419-33-6 |
| Catalog Number | AG000DLI(AGN-PC-0WNOFW) |
| Chemical Name | [1,1'-Biphenyl]-3-carboxylic acid, 2',4'-dimethyl- |
| IUPAC Name | 3-(2,4-dimethylphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O2/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(9-12)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | UMORCGAQBRIKAF-UHFFFAOYSA-N |
| MDL Number | MFCD12403278 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | Cc1ccc(c(c1)C)c1cccc(c1)C(=O)O |
| Synonyms | 2',4'-DIMETHYLBIPHENYL-3-CARBOXYLIC ACID,
1170419-33-6,
CTK4B0121,
DTXSID20656543,
MFCD12403278,
ZINC38068713,
AKOS002683450,
2',4'-Dimethyl biphenyl-3-carboxylic acid,
TR-034163,
A-5224,
2',4'-Dimethyl[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 2',4'-dimethyl-,
2,4-Dimethylbiphenyl-3-carboxylic acid,
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| Complexity | 274 |
| 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
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Certificate of Analysis
Lot Number