| CAS Number | 1016690-39-3 |
| Catalog Number | AG01B9TM |
| Chemical Name | 2-(Propan-2-yloxy)pyridine-3-carboxylic acid |
| IUPAC Name | 2-propan-2-yloxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-6(2)13-8-7(9(11)12)4-3-5-10-8/h3-6H,1-2H3,(H,11,12) |
| InChI Key | FDVRXYBXOOUUQY-UHFFFAOYSA-N |
| MDL Number | MFCD09816820 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | O=C(C1=CC=CN=C1OC(C)C)O |
| Synonyms | 1016690-39-3,
2-(Propan-2-yloxy)pyridine-3-carboxylic acid,
2-isopropoxynicotinic acid,
2-ISOPROPOXYPYRIDINE-3-CARBOXYLIC ACID,
SCHEMBL15694859,
CTK6B1010,
BBL031513,
MFCD09816820,
STL373222,
ZINC19274548,
AKOS000151365,
KS-7523,
MCULE-9770301427,
2-propan-2-yloxypyridine-3-carboxylic acid,
2-(Propan-2-yloxy)pyridine-3-carboxylicacid,
Z2510259566,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number