| CAS Number | 149609-89-2 |
| Catalog Number | AG01BCRN(AGN-PC-003NKN) |
| Chemical Name | 4-(1-Phenylethoxy)benzoic acid |
| IUPAC Name | 4-(1-phenylethoxy)benzoic acid |
| InChI | InChI=1S/C15H14O3/c1-11(12-5-3-2-4-6-12)18-14-9-7-13(8-10-14)15(16)17/h2-11H,1H3,(H,16,17) |
| InChI Key | XOSZAPCYWBTAOA-UHFFFAOYSA-N |
| MDL Number | MFCD11529188 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | CC(C1=CC=CC=C1)OC1=CC=C(C(O)=O)C=C1 |
| Synonyms | 4-(1-phenylethoxy)benzoic acid,
149609-89-2,
SCHEMBL8782592,
AKOS000263864,
AKOS022487301,
MCULE-2134946320,
NE24697,
Z1815155492,
|
| Complexity | 263 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number