| CAS Number | 699527-72-5 |
| Catalog Number | AG019Z9K(AGN-PC-0WO81G) |
| Chemical Name | 3-Methyl-2-(Pyridin-3-Yl)Butanoic Acid |
| IUPAC Name | 3-methyl-2-pyridin-3-ylbutanoic acid |
| InChI | InChI=1S/C10H13NO2/c1-7(2)9(10(12)13)8-4-3-5-11-6-8/h3-7,9H,1-2H3,(H,12,13) |
| InChI Key | ZKDCKGIFVNLHSZ-UHFFFAOYSA-N |
| MDL Number | MFCD16748891 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CC(C)C(C1=CN=CC=C1)C(=O)O |
| Synonyms | 3-methyl-2-(pyridin-3-yl)butanoic acid,
699527-72-5,
SCHEMBL12698775,
AKOS011680618,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number