| CAS Number | 1803606-28-1 |
| Catalog Number | AG01ACN9(AGN-PC-0WO6KB) |
| Chemical Name | 4-oxo-4-(pyridin-2-yl)butanoic acid hydrochloride |
| IUPAC Name | 4-oxo-4-pyridin-2-ylbutanoic acid;hydrochloride |
| InChI | InChI=1S/C9H9NO3.ClH/c11-8(4-5-9(12)13)7-3-1-2-6-10-7;/h1-3,6H,4-5H2,(H,12,13);1H |
| InChI Key | MERGXRUIQOIIEQ-UHFFFAOYSA-N |
| MDL Number | MFCD26936061 |
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.6336 |
| SMILES | Cl.OC(CCC(C1=NC=CC=C1)=O)=O |
| Synonyms | 4-oxo-4-(pyridin-2-yl)butanoic acid hydrochloride,
1803606-28-1,
AKOS026728235,
NE37444,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.633g/mol |
| Monoisotopic Mass | 215.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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