| CAS Number | 1501677-19-5 |
| Catalog Number | AG01BGT1(AGN-PC-0WOUB7) |
| Chemical Name | 3-(Propan-2-yloxy)pyridine-4-carboxylic acid |
| IUPAC Name | 3-propan-2-yloxypyridine-4-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-6(2)13-8-5-10-4-3-7(8)9(11)12/h3-6H,1-2H3,(H,11,12) |
| InChI Key | CMVBUZNDHQMRGI-UHFFFAOYSA-N |
| MDL Number | MFCD24108795 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CC(OC1=C(C(O)=O)C=CN=C1)C |
| Synonyms | 3-Isopropoxyisonicotinic acid,
1501677-19-5,
3-(propan-2-yloxy)pyridine-4-carboxylic acid,
AKOS020024551,
ZINC107341674,
KS-9261,
Z1948934180,
|
| 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 | 1.1 |
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Certificate of Analysis
Lot Number