| CAS Number | 1107609-36-8 |
| Catalog Number | AG00HBRI(AGN-PC-0WG3P7) |
| Chemical Name | 6-Methoxy-3-pyridinepropanoic acid |
| IUPAC Name | 3-(6-methoxypyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO3/c1-13-8-4-2-7(6-10-8)3-5-9(11)12/h2,4,6H,3,5H2,1H3,(H,11,12) |
| InChI Key | AVKMBNIMMCMCBT-UHFFFAOYSA-N |
| MDL Number | MFCD18259982 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | C(CC(=O)O)c1ccc(nc1)OC |
| Synonyms | 3-(6-Methoxy-3-pyridinyl)propanoic acid,
1107609-36-8,
3-(6-methoxypyridin-3-yl)propanoic acid,
SCHEMBL6069860,
AVKMBNIMMCMCBT-UHFFFAOYSA-N,
MFCD18259982,
ZINC83273919,
AKOS022969907,
3-(6-methoxypyridin-3-yl)-propanoic acid,
CS-0037812,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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