| CAS Number | 50596-36-6 |
| Catalog Number | AG019PX1 |
| Chemical Name | 4-(Pyridin-2-Ylmethoxy)Benzoic Acid |
| IUPAC Name | 4-(pyridin-2-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C13H11NO3/c15-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-14-11/h1-8H,9H2,(H,15,16) |
| InChI Key | FONKVXGQOAAQSQ-UHFFFAOYSA-N |
| MDL Number | MFCD08098737 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | C1=CC=NC(=C1)COC2=CC=C(C=C2)C(=O)O |
| Synonyms | 4-(pyridin-2-ylmethoxy)benzoic acid,
50596-36-6,
4-[(pyridin-2-yl)methoxy]benzoic acid,
AC1Q73GC,
SCHEMBL2354790,
CTK7I8089,
FONKVXGQOAAQSQ-UHFFFAOYSA-N,
ZINC9239053,
AKOS000103358,
MCULE-4412138781,
NE38660,
Benzoic acid, 4-(2-pyridinylmethoxy)-,
EN300-86654,
A1-08779,
F2158-0590,
Z228588448,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number