| CAS Number | 944998-13-4 |
| Catalog Number | AG00IIAS(AGN-PC-0WG3UC) |
| Chemical Name | 3-(2-Methoxy-3-pyridinyl)propanoic acid |
| IUPAC Name | 3-(2-methoxypyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO3/c1-13-9-7(3-2-6-10-9)4-5-8(11)12/h2-3,6H,4-5H2,1H3,(H,11,12) |
| InChI Key | NCTIRVTVGMLEBW-UHFFFAOYSA-N |
| MDL Number | MFCD20657531 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC1=C(CCC(O)=O)C=CC=N1 |
| Synonyms | 3-(2-Methoxy-3-pyridinyl)propanoic acid,
944998-13-4,
3-(2-methoxypyridin-3-yl)propanoic acid,
SCHEMBL7499858,
MFCD20657531,
ZINC83823286,
AKOS017532461,
CS-0039091,
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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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