| CAS Number | 926209-76-9 |
| Catalog Number | AG019LCS |
| Chemical Name | 2-[(pyridin-4-yl)methoxy]benzoic acid |
| IUPAC Name | 2-(pyridin-4-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C13H11NO3/c15-13(16)11-3-1-2-4-12(11)17-9-10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16) |
| InChI Key | MSXCCHTWBPXRSX-UHFFFAOYSA-N |
| MDL Number | MFCD08310590 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | OC(C1=C(OCC2=CC=NC=C2)C=CC=C1)=O |
| Synonyms | 2-(pyridin-4-ylmethoxy)benzoic acid,
926209-76-9,
AC1Q72KI,
SCHEMBL7164758,
CTK7I9056,
ZINC20281710,
AKOS000126406,
MCULE-4070063348,
2-[(Pyridin-4-yl)methoxy]benzoic acid,
EN300-30803,
|
| Complexity | 251 |
| 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 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number