| CAS Number | 317334-97-7 |
| Catalog Number | AG00CMNW |
| Chemical Name | 3-Isopropoxypicolinic acid |
| IUPAC Name | 3-propan-2-yloxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-6(2)13-7-4-3-5-10-8(7)9(11)12/h3-6H,1-2H3,(H,11,12) |
| InChI Key | VEQBWSXCALLBKF-UHFFFAOYSA-N |
| MDL Number | MFCD13178184 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | O=C(C1=NC=CC=C1OC(C)C)O |
| Synonyms | 3-Isopropoxypicolinic acid,
317334-97-7,
3-(Propan-2-yloxy)pyridine-2-carboxylic acid,
SCHEMBL7084929,
VEQBWSXCALLBKF-UHFFFAOYSA-N,
isopropoxypyridine-2-carboxylic acid,
ZINC42393856,
AKOS010637959,
KS-7586,
MCULE-7672788869,
NE34435,
3-(Propan-2-yloxy)pyridine-2-carboxylicacid,
Z1357774256,
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| 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
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Certificate of Analysis
Lot Number