| CAS Number | 1609572-20-4 |
| Catalog Number | AG01BBXF |
| Chemical Name | ethyl 5-oxo-5H,6H,7H-cyclopenta[b]pyridine-6-carboxylate |
| IUPAC Name | ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate |
| InChI | InChI=1S/C11H11NO3/c1-2-15-11(14)8-6-9-7(10(8)13)4-3-5-12-9/h3-5,8H,2,6H2,1H3 |
| InChI Key | ZVXZPBMNQFQOSR-UHFFFAOYSA-N |
| MDL Number | MFCD26516259 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | O=C(C1C(C2=CC=CN=C2C1)=O)OCC |
| Synonyms | ethyl 5-oxo-5H,6H,7H-cyclopenta[b]pyridine-6-carboxylate,
1609572-20-4,
SCHEMBL19852371,
AKOS027196321,
Z2120060783,
5-Oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid ethyl ester,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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