| CAS Number | 3222-53-5 |
| Catalog Number | AG00CJ9Q(AGN-PC-03RAYL) |
| Chemical Name | 5-ethylpyridine-3-carboxylic acid |
| IUPAC Name | 5-ethylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9NO2/c1-2-6-3-7(8(10)11)5-9-4-6/h3-5H,2H2,1H3,(H,10,11) |
| InChI Key | NAYFQDVGAZMKLL-UHFFFAOYSA-N |
| MDL Number | MFCD11043003 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | CCC1=CC(C(O)=O)=CN=C1 |
| Synonyms | 5-ethylpyridine-3-carboxylic acid,
3222-53-5,
5-ethylnicotinic acid,
SCHEMBL846393,
CTK1C1010,
DTXSID70626973,
5-ethyl-3-pyridinecarboxylic acid,
3-Pyridinecarboxylicacid, 5-ethyl-,
ZINC15205584,
AKOS006306816,
NE19923,
3-Pyridinecarboxylicacid,5-ethyl-(9CI),
FT-0759048,
Z2510258136,
3-Pyridinecarboxylic acid, 5-ethyl- (9CI),
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number