| CAS Number | 176446-91-6 |
| Catalog Number | AG01BERD(AGN-PC-0O501F) |
| Chemical Name | 4-(pyridin-3-yl)butanoic acid hydrochloride |
| IUPAC Name | 4-pyridin-3-ylbutanoic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c11-9(12)5-1-3-8-4-2-6-10-7-8;/h2,4,6-7H,1,3,5H2,(H,11,12);1H |
| InChI Key | BIAUXLCJVRFGCK-UHFFFAOYSA-N |
| MDL Number | MFCD18802935 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | Cl.OC(CCCC1=CN=CC=C1)=O |
| Synonyms | 4-(pyridin-3-yl)butanoic acid hydrochloride,
176446-91-6,
AKOS026741368,
4-(3-pyridyl)butanoic acid hydrochloride,
EN300-183128,
3-pyridinebutanoic acid hydrochloride,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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