| CAS Number | 861045-09-2 |
| Catalog Number | AG017FC5(AGN-PC-3H45BA) |
| Chemical Name | 6-Propoxynicotinic acid |
| IUPAC Name | 6-propoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-2-5-13-8-4-3-7(6-10-8)9(11)12/h3-4,6H,2,5H2,1H3,(H,11,12) |
| InChI Key | BIQVIBCSZXFYEJ-UHFFFAOYSA-N |
| MDL Number | MFCD11619133 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | C1(C=CC(=NC=1)OCCC)C(O)=O |
| Synonyms | 6-Propoxynicotinic acid,
861045-09-2,
6-Propoxypyridine-3-carboxylic acid,
6-Propoxy-nicotinic acid,
SCHEMBL10657063,
ZINC37024836,
|
| Complexity | 172 |
| 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 | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number