| CAS Number | 863507-81-7 |
| Catalog Number | AG00J5DW(AGN-PC-0715DV) |
| Chemical Name | 5-Isopropoxynicotinic acid |
| IUPAC Name | 5-propan-2-yloxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-6(2)13-8-3-7(9(11)12)4-10-5-8/h3-6H,1-2H3,(H,11,12) |
| InChI Key | MAYWTKAKICFRKL-UHFFFAOYSA-N |
| MDL Number | MFCD14282014 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | O=C(O)C1=CN=CC(OC(C)C)=C1 |
| Synonyms | 5-Isopropoxynicotinic acid,
863507-81-7,
5-(propan-2-yloxy)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 5-(1-methylethoxy)-,
SCHEMBL12923699,
ALBB-019946,
MFCD14282014,
ZINC32919186,
AKOS004912385,
MCULE-2139761992,
NE38992,
F8880-7395,
Z1465463133,
5-propan-2-yloxypyridine-3-carboxylic acid,
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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 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number