| CAS Number | 129483-51-8 |
| Catalog Number | AG000Z6K(AGN-PC-07ASLF) |
| Chemical Name | 3-(4-methylpyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(4-methylpyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO2/c1-7-4-5-10-6-8(7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12) |
| InChI Key | PYHZMMYMZLREKL-UHFFFAOYSA-N |
| MDL Number | MFCD18259933 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | O=C(O)CCC1=C(C)C=CN=C1 |
| Synonyms | 129483-51-8,
4-Methyl-3-pyridinepropanoic acid,
3-(4-Methylpyridin-3-yl)propanoic acid,
3-Pyridinepropanoicacid, 4-methyl-,
ACMC-20mt9k,
CTK0H0157,
KS-00001ABD,
DTXSID20668580,
3-Pyridinepropanoic acid, 4-methyl-,
MFCD18259933,
ZINC39120752,
AKOS014312746,
3-(4-Methyl-3-pyridinyl)propanoic acid,
CS-0035484,
3-Pyridinepropanoic acid, 4-methyl- (9CI),
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number