| CAS Number | 939964-55-3 |
| Catalog Number | AG01BA0V |
| Chemical Name | 2-(Piperidin-1-yl)benzoic acid hydrochloride |
| IUPAC Name | 2-piperidin-1-ylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13;/h2-3,6-7H,1,4-5,8-9H2,(H,14,15);1H |
| InChI Key | LHQNMRHFDNVPOO-UHFFFAOYSA-N |
| MDL Number | MFCD28397467 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | Cl.OC(C1=C(N2CCCCC2)C=CC=C1)=O |
| Synonyms | 2-(piperidin-1-yl)benzoic acid hydrochloride,
939964-55-3,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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