| CAS Number | 371753-19-4 |
| Catalog Number | AG00C9UB(AGN-PC-0RDCXS) |
| Chemical Name | rac trans-Loxoprofen Alcohol |
| IUPAC Name | 2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid |
| InChI | InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-,14+/m1/s1 |
| InChI Key | SHAHPWSYJFYMRX-ADSMYIAOSA-N |
| MDL Number | MFCD30720493 |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.3175 |
| SMILES | O[C@H]1CCC[C@@H]1CC2=CC=C(C(C)C(O)=O)C=C2 |
| Synonyms | rac trans-Loxoprofen Alcohol,
Loxoprofen srs,
371753-19-4,
CHEMBL1275942,
DTXSID50522065,
2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid,
rel-4-[[(1R,2S)-2-Hydroxycyclopentyl]methyl]-|A-methylbenzeneacetic Acid,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.322g/mol |
| Monoisotopic Mass | 248.141g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number