| CAS Number | 857416-56-9 |
| Catalog Number | AG01JHJO(AGN-PC-3H6E0H) |
| Chemical Name | 6,7-Dihydro-1H-cyclopenta[b]pyridine-2,5-dione |
| IUPAC Name | 6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione |
| InChI | InChI=1S/C8H7NO2/c10-7-3-2-6-5(7)1-4-8(11)9-6/h1,4H,2-3H2,(H,9,11) |
| InChI Key | GEYWHQBSMJOHQF-UHFFFAOYSA-N |
| MDL Number | MFCD18384506 |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.1467 |
| SMILES | O=C1C=CC(C(CC2)=O)=C2N1 |
| Synonyms | 2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-5-one,
6,7-dihydro-1H-cyclopenta[b]pyridine-2,5-dione,
857416-56-9,
1H-Cyclopenta[b]pyridine-2,5-dione, 6,7-dihydro-,
SCHEMBL17606422,
GEYWHQBSMJOHQF-UHFFFAOYSA-N,
CS-16517,
CS-0099235,
N/A,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.047678g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.15g/mol |
| Monoisotopic Mass | 149.047678g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number