| CAS Number | 149190-98-7 |
| Catalog Number | AG001LFX(AGN-PC-03YNPJ) |
| Chemical Name | 4-(3,5-Dimethylphenoxy)benzoic acid |
| IUPAC Name | 4-(3,5-dimethylphenoxy)benzoic acid |
| InChI | InChI=1S/C15H14O3/c1-10-7-11(2)9-14(8-10)18-13-5-3-12(4-6-13)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | LEWICYODYSXXIA-UHFFFAOYSA-N |
| MDL Number | MFCD08446908 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | OC(=O)c1ccc(cc1)Oc1cc(C)cc(c1)C |
| Synonyms | 4-(3,5-DIMETHYLPHENOXY)BENZOIC ACID,
149190-98-7,
925005-06-7,
SCHEMBL15011469,
CTK4C6069,
DTXSID30610176,
5421AH,
MFCD08446908,
ZINC11993182,
AKOS009185966,
K-4737,
4- BENZOICACID,
C15H14O3,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number