| CAS Number | 1256810-53-3 |
| Catalog Number | AG00HIEF(AGN-PC-0WO0O6) |
| Chemical Name | 3-Pyridinepropanoic acid, 5-methyl- |
| IUPAC Name | 3-(5-methylpyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO2/c1-7-4-8(6-10-5-7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12) |
| InChI Key | XGXXQNPWMCFKOV-UHFFFAOYSA-N |
| MDL Number | MFCD18259978 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | C(CC(=O)O)c1cc(C)cnc1 |
| Synonyms | 3-(5-methylpyridin-3-yl)propanoic acid,
1256810-53-3,
MFCD18259978,
ZINC82851255,
AKOS017517995,
NE57575,
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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 | 1 |
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Certificate of Analysis
Lot Number