| CAS Number | 1023817-41-5 |
| Catalog Number | AG00H9SB(AGN-PC-0WQVLZ) |
| Chemical Name | 3-(4-Methylpyridin-2-yl)propanoic acid |
| IUPAC Name | 3-(4-methylpyridin-2-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO2/c1-7-4-5-10-8(6-7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12) |
| InChI Key | DXDRDHSTHCAHPG-UHFFFAOYSA-N |
| MDL Number | MFCD09881232 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CC1=CC(CCC(O)=O)=NC=C1 |
| Synonyms | 3-(4-methylpyridin-2-yl)propanoic acid,
1023817-41-5,
SCHEMBL2964327,
MFCD09881232,
ZINC26460056,
AKOS006313931,
AS-39579,
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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
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