| CAS Number | 25563-03-5 |
| Catalog Number | AG01C2AP |
| Chemical Name | 2-[2-(4-methylphenoxy)phenyl]acetic acid |
| IUPAC Name | 2-[2-(4-methylphenoxy)phenyl]acetic acid |
| InChI | InChI=1S/C15H14O3/c1-11-6-8-13(9-7-11)18-14-5-3-2-4-12(14)10-15(16)17/h2-9H,10H2,1H3,(H,16,17) |
| InChI Key | RXXSLIGGHLBIFA-UHFFFAOYSA-N |
| MDL Number | MFCD25372170 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | CC1=CC=C(OC2=C(CC(O)=O)C=CC=C2)C=C1 |
| Synonyms | 2-[2-(4-methylphenoxy)phenyl]acetic acid,
25563-03-5,
ZINC91690319,
AKOS033816432,
Z2235815462,
|
| Complexity | 269 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number