| CAS Number | 1250166-16-5 |
| Catalog Number | AG01C5X5 |
| Chemical Name | 4-(3-hydroxypiperidin-1-yl)benzoic acid |
| IUPAC Name | 4-(3-hydroxypiperidin-1-yl)benzoic acid |
| InChI | InChI=1S/C12H15NO3/c14-11-2-1-7-13(8-11)10-5-3-9(4-6-10)12(15)16/h3-6,11,14H,1-2,7-8H2,(H,15,16) |
| InChI Key | MAAUZBDYRGJMKC-UHFFFAOYSA-N |
| MDL Number | MFCD16722842 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | OC1CN(C2=CC=C(C(O)=O)C=C2)CCC1 |
| Synonyms | 4-(3-hydroxypiperidin-1-yl)benzoic acid,
1250166-16-5,
SCHEMBL1663436,
AKOS011513604,
F2167-4002,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number