| CAS Number | 39713-40-1 |
| Catalog Number | AG00CHSW(AGN-PC-0WBQ5E) |
| Chemical Name | 7,8-Dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione |
| IUPAC Name | 7,8-dihydro-6H-cyclohepta[b]pyridine-5,9-dione |
| InChI | InChI=1S/C10H9NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6H,1,4-5H2 |
| InChI Key | INMIEUQKQXVBKR-UHFFFAOYSA-N |
| MDL Number | MFCD16293377 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | O=C1CCCC(=O)c2c1nccc2 |
| Synonyms | 7,8-dihydro-5H-cyclohepta[b]pyridine-5,9(6H)-dione,
39713-40-1,
SCHEMBL829095,
DTXSID10704385,
MFCD16293377,
ZINC71260693,
AKOS015924408,
AB0000721,
W-3905,
5H-Cyclohepta[b]pyridine-5,9(6H)-dione, 7,8-dihydro-,
6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridine-5,9-dione,
F1967-1763,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number