| CAS Number | 102879-48-1 |
| Catalog Number | AG007YHO(AGN-PC-0BSDLP) |
| Chemical Name | 2-Pyridinecarboxylicacid, 3-propyl- |
| IUPAC Name | 3-propylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H11NO2/c1-2-4-7-5-3-6-10-8(7)9(11)12/h3,5-6H,2,4H2,1H3,(H,11,12) |
| InChI Key | RGBUVKDPPSGIGH-UHFFFAOYSA-N |
| MDL Number | MFCD20646417 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | C(CC)C=1C(=NC=CC1)C(=O)O |
| Synonyms | 102879-48-1,
2-Pyridinecarboxylicacid, 3-propyl-,
3-Propylpyridine-2-carboxylic acid,
ACMC-20m5un,
CTK0H2451,
DTXSID60723607,
3-Propyl-2-pyridinecarboxylic acid,
ZINC201350126,
Picolinic acid, 3-propyl- (6CI),
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number