| CAS Number | 1909348-33-9 |
| Catalog Number | AG01C3RQ |
| Chemical Name | 4-(pyridin-4-ylmethoxy)benzoic acid hydrochloride |
| IUPAC Name | 4-(pyridin-4-ylmethoxy)benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H11NO3.ClH/c15-13(16)11-1-3-12(4-2-11)17-9-10-5-7-14-8-6-10;/h1-8H,9H2,(H,15,16);1H |
| InChI Key | GMRZXLCPOLAHKI-UHFFFAOYSA-N |
| MDL Number | MFCD29762863 |
| Molecular Formula | C13H12ClNO3 |
| Molecular Weight | 265.6923 |
| SMILES | Cl.OC(C1=CC=C(OCC2=CC=NC=C2)C=C1)=O |
| Synonyms | 1909348-33-9,
4-[(pyridin-4-yl)methoxy]benzoic acid hydrochloride,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.693g/mol |
| Monoisotopic Mass | 265.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number