| CAS Number | 1256786-83-0 |
| Catalog Number | AG00HIE3(AGN-PC-0WG3UA) |
| Chemical Name | 3-(5-Methylpyridin-2-yl)propanoic acid |
| IUPAC Name | 3-(5-methylpyridin-2-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO2/c1-7-2-3-8(10-6-7)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12) |
| InChI Key | NQPVZTSPKGOTNZ-UHFFFAOYSA-N |
| MDL Number | MFCD18259972 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CC1=CN=C(CCC(O)=O)C=C1 |
| Synonyms | 3-(5-Methylpyridin-2-yl)propanoic acid,
1256786-83-0,
MFCD18259972,
ZINC82851260,
AKOS017515574,
AS-39728,
CS-0038739,
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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