| CAS Number | 842971-94-2 |
| Catalog Number | AG00G7JO(AGN-PC-0WBU8H) |
| Chemical Name | 3-(6-Methylpyridin-2-yl)propanoic acid |
| IUPAC Name | 3-(6-methylpyridin-2-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO2/c1-7-3-2-4-8(10-7)5-6-9(11)12/h2-4H,5-6H2,1H3,(H,11,12) |
| InChI Key | PJMIURVMDXNNSP-UHFFFAOYSA-N |
| MDL Number | MFCD06011075 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | Cc1cccc(n1)CCC(=O)O |
| Synonyms | 3-(6-METHYL-PYRIDIN-2-YL)-PROPIONIC ACID,
3-(6-methylpyridin-2-yl)propanoic Acid,
842971-94-2,
AC1LMMWW,
SCHEMBL17743752,
CTK6C1716,
PJMIURVMDXNNSP-UHFFFAOYSA-N,
ZINC873816,
MFCD06011075,
AKOS005264159,
3-(6-methylpyridin-2-yl)propionic acid,
AS-39496,
TR-042850,
CS-0039090,
CID1132963,
N/A,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number