| CAS Number | 139745-96-3 |
| Catalog Number | AG00HVOL(AGN-PC-0O1WXW) |
| Chemical Name | 3-(3-Methoxypyridin-2-yl)propanoic acid |
| IUPAC Name | 3-(3-methoxypyridin-2-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO3/c1-13-8-3-2-6-10-7(8)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12) |
| InChI Key | YTGHQTCQVYPJID-UHFFFAOYSA-N |
| MDL Number | MFCD20653542 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC1=C(CCC(O)=O)N=CC=C1 |
| Synonyms | 3-(3-Methoxypyridin-2-yl)propanoic acid,
139745-96-3,
SCHEMBL17061218,
MFCD20653542,
ZINC83273916,
2-Pyridinepropanoic acid, 3-methoxy-,
3-(3-Methoxy-2-pyridinyl)propanoic acid,
AS-39769,
FT-0704311,
3-methoxy-2-Pyridinepropanoic acid,
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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 | 0.6 |
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Certificate of Analysis
Lot Number