| CAS Number | 1094325-06-0 |
| Catalog Number | AG01A87G |
| Chemical Name | 2-(pyridin-3-yloxy)benzoic acid |
| IUPAC Name | 2-pyridin-3-yloxybenzoic acid |
| InChI | InChI=1S/C12H9NO3/c14-12(15)10-5-1-2-6-11(10)16-9-4-3-7-13-8-9/h1-8H,(H,14,15) |
| InChI Key | CVDCJGITZQGDJF-UHFFFAOYSA-N |
| MDL Number | MFCD11182950 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | OC(C1=C(OC2=CN=CC=C2)C=CC=C1)=O |
| Synonyms | 2-(pyridin-3-yloxy)benzoic acid,
1094325-06-0,
AC1Q72JT,
CTK7I9045,
ZINC36904275,
AKOS009332942,
MCULE-2545284015,
NE41266,
EN300-60925,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 3 |
| 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