| CAS Number | 802828-81-5 |
| Catalog Number | AG003AIT(AGN-PC-0WG40K) |
| Chemical Name | 6-ethyl-3-Pyridinecarboxylic acid |
| IUPAC Name | 6-ethylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H9NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3-5H,2H2,1H3,(H,10,11) |
| InChI Key | UCTFGXRSWLXPKH-UHFFFAOYSA-N |
| MDL Number | MFCD18256200 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | C(C)C1=CC=C(C=N1)C(=O)O |
| Synonyms | 6-ethylnicotinic acid,
802828-81-5,
6-ethylpyridine-3-carboxylic acid,
SCHEMBL344135,
UCTFGXRSWLXPKH-UHFFFAOYSA-N,
3-Pyridinecarboxylicacid,6-ethyl-,
6-ethyl-3-Pyridinecarboxylic acid,
KS-00001B3C,
3-Pyridinecarboxylic acid, 6-ethyl-,
MFCD18256200,
ZINC79991927,
AS-54893,
CS-0035618,
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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 |
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Certificate of Analysis
Lot Number