| CAS Number | 2007921-14-2 |
| Catalog Number | AG002D0G(AGN-PC-0WNH6E) |
| Chemical Name | Benzoic acid, 3-(3-piperidinyl)-, hydrochloride (1:1) |
| IUPAC Name | 3-piperidin-3-ylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11;/h1,3-4,7,11,13H,2,5-6,8H2,(H,14,15);1H |
| InChI Key | SCXUCFMEOAIYIF-UHFFFAOYSA-N |
| MDL Number | MFCD08460733 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | O=C(O)C1=CC=CC(C2CNCCC2)=C1.[H]Cl |
| Synonyms | 3-(Piperidin-3-yl)benzoic acid hydrochloride,
2007921-14-2,
3-(Piperidin-3-yl)benzoic acid HCl,
KS-000008MS,
MFCD08460733,
SB22802,
AS-53047,
CS-0051670,
908334-18-9,
N/A,
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| Complexity | 230 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number