| CAS Number | 335077-89-9 |
| Catalog Number | AG01AAMG(AGN-PC-044EH0) |
| Chemical Name | 2-(2-Methylpropoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 2-(2-methylpropoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-7(2)6-14-9-8(10(12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13) |
| InChI Key | IYUQLJBOKGMHHS-UHFFFAOYSA-N |
| MDL Number | MFCD09812303 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(COC1=C(C(O)=O)C=CC=N1)C |
| Synonyms | 2-(2-methylpropoxy)pyridine-3-carboxylic acid,
335077-89-9,
2-isobutoxynicotinic acid,
AC1Q1PS4,
SCHEMBL5446405,
CTK6A9045,
IYUQLJBOKGMHHS-UHFFFAOYSA-N,
BBL036584,
STL490911,
ZINC19275077,
AKOS000151990,
MCULE-3140132402,
NE19088,
EN300-69011,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/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