| CAS Number | 1609396-09-9 |
| Catalog Number | AG00J2C8 |
| Chemical Name | 4-(4-piperidinyloxy)benzoic acid hydrochloride |
| IUPAC Name | 4-piperidin-4-yloxybenzoic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO3.ClH/c14-12(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2,(H,14,15);1H |
| InChI Key | NHTKIPKHDVKBJY-UHFFFAOYSA-N |
| MDL Number | MFCD26959432 |
| Molecular Formula | C12H16ClNO3 |
| Molecular Weight | 257.7133 |
| SMILES | C(O)(=O)C1C=CC(=CC=1)OC1CCNCC1.Cl |
| Synonyms | 4-(4-PIPERIDINYLOXY)BENZOIC ACID HYDROCHLORIDE,
1609396-09-9,
MFCD26959432,
4-(piperidin-4-yloxy)benzoic acid hydrochloride,
Z2429425536,
912950-02-8,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.714g/mol |
| Monoisotopic Mass | 257.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number