| CAS Number | 1240597-20-9 |
| Catalog Number | AG01A2MV(AGN-PC-0WOCLZ) |
| Chemical Name | 6-Isopropoxypicolinic acid |
| IUPAC Name | 6-propan-2-yloxypyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-6(2)13-8-5-3-4-7(10-8)9(11)12/h3-6H,1-2H3,(H,11,12) |
| InChI Key | JRSQAZFZVOWWTO-UHFFFAOYSA-N |
| MDL Number | MFCD16697757 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CC(OC1=NC(C(O)=O)=CC=C1)C |
| Synonyms | 1240597-20-9,
6-(propan-2-yloxy)pyridine-2-carboxylic acid,
6-Isopropoxypicolinic acid,
6-(Propan-2-yloxy)pyridine-2-carboxylicacid,
SCHEMBL13323589,
ZINC51041573,
AKOS011536035,
KS-7305,
MCULE-1815839547,
NE37042,
F8881-5519,
Z1516394657,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number