| CAS Number | 926230-66-2 |
| Catalog Number | AG019N8N |
| Chemical Name | 3,5-Dimethyl-4-[(pyridin-3-yl)methoxy]benzoic acid |
| IUPAC Name | 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C15H15NO3/c1-10-6-13(15(17)18)7-11(2)14(10)19-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,17,18) |
| InChI Key | MPXYDASDOGSCFL-UHFFFAOYSA-N |
| MDL Number | MFCD08443181 |
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.2845 |
| SMILES | CC1=C(OCC2=CN=CC=C2)C(C)=CC(C(O)=O)=C1 |
| Synonyms | 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoic acid,
3,5-dimethyl-4-[(pyridin-3-yl)methoxy]benzoic acid,
926230-66-2,
AC1Q2GX9,
CTK6B5258,
ZINC21952651,
AKOS000125921,
MCULE-4640860645,
NE25956,
EN300-39687,
Z425449688,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.289g/mol |
| Monoisotopic Mass | 257.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number