| CAS Number | 1909336-33-9 |
| Catalog Number | AG01C3OJ |
| Chemical Name | 5H,6H,7H,8H,9H-cyclohepta[b]pyridin-7-one hydrochloride |
| IUPAC Name | 5,6,8,9-tetrahydrocyclohepta[b]pyridin-7-one;hydrochloride |
| InChI | InChI=1S/C10H11NO.ClH/c12-9-4-3-8-2-1-7-11-10(8)6-5-9;/h1-2,7H,3-6H2;1H |
| InChI Key | GOENNMWTYLKYSP-UHFFFAOYSA-N |
| MDL Number | MFCD29060529 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | Cl.O=C1CCC2=C(C=CC=N2)CC1 |
| Synonyms | 1909336-33-9,
5H,6H,7H,8H,9H-cyclohepta[b]pyridin-7-one hydrochloride,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.662g/mol |
| Monoisotopic Mass | 197.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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