| CAS Number | 1040346-47-1 |
| Catalog Number | AG019VZP |
| Chemical Name | 4-[(4-Hydroxypiperidin-1-yl)methyl]benzoic acid |
| IUPAC Name | 4-[(4-hydroxypiperidin-1-yl)methyl]benzoic acid |
| InChI | InChI=1S/C13H17NO3/c15-12-5-7-14(8-6-12)9-10-1-3-11(4-2-10)13(16)17/h1-4,12,15H,5-9H2,(H,16,17) |
| InChI Key | KYAKCEFHQBQOIA-UHFFFAOYSA-N |
| MDL Number | MFCD11123540 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | OC1CCN(CC2=CC=C(C(O)=O)C=C2)CC1 |
| Synonyms | 4-[(4-hydroxypiperidin-1-yl)methyl]benzoic acid,
1040346-47-1,
AC1Q7APS,
SCHEMBL2273759,
CTK8A0548,
ZINC21520206,
AKOS008077798,
MCULE-6490271744,
NE14936,
EN300-49988,
Z197265206,
4-[(4-hydroxypiperidin-1-yl)methyl]benzoic acid, AldrichCPR,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number