| CAS Number | 916262-56-1 |
| Catalog Number | AG00H4ZC(AGN-PC-0VTTJ6) |
| Chemical Name | 3-(Pyridin-2-yl)butanoic acid |
| IUPAC Name | 3-pyridin-2-ylbutanoic acid |
| InChI | InChI=1S/C9H11NO2/c1-7(6-9(11)12)8-4-2-3-5-10-8/h2-5,7H,6H2,1H3,(H,11,12) |
| InChI Key | GXQDIIZOQIDPSW-UHFFFAOYSA-N |
| MDL Number | MFCD11172899 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | N1=C(C=CC=C1)C(CC(=O)O)C |
| Synonyms | 3-(Pyridin-2-yl)butanoic acid,
916262-56-1,
SCHEMBL1209089,
3137AF,
AKOS009220437,
2-Pyridinepropanoic acid, beta-methyl-,
FT-0738075,
2-(Pyridin-2-Yl)Butanoic acid,
C9H11NO2,
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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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number