| CAS Number | 1016678-87-7 |
| Catalog Number | AG01BDAY |
| Chemical Name | 2-(3-methylbutoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 2-(3-methylbutoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H15NO3/c1-8(2)5-7-15-10-9(11(13)14)4-3-6-12-10/h3-4,6,8H,5,7H2,1-2H3,(H,13,14) |
| InChI Key | HNJJSPNOHKOWEB-UHFFFAOYSA-N |
| MDL Number | MFCD09805640 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | CC(CCOC1=C(C(O)=O)C=CC=N1)C |
| Synonyms | 2-(3-METHYLBUTOXY)PYRIDINE-3-CARBOXYLIC ACID,
1016678-87-7,
CTK6A8047,
ZINC19280732,
AKOS000156081,
Z2181651540,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number