| CAS Number | 52402-36-5 |
| Catalog Number | AG01BCG6 |
| Chemical Name | ethyl 7-oxo-5H,6H,7H-cyclopenta[c]pyridine-6-carboxylate |
| IUPAC Name | ethyl 7-oxo-5,6-dihydrocyclopenta[c]pyridine-6-carboxylate |
| InChI | InChI=1S/C11H11NO3/c1-2-15-11(14)8-5-7-3-4-12-6-9(7)10(8)13/h3-4,6,8H,2,5H2,1H3 |
| InChI Key | IACDWQJNTQIURN-UHFFFAOYSA-N |
| MDL Number | MFCD22200729 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | CCOC(C1C(=O)C2=C(C=CN=C2)C1)=O |
| Synonyms | ethyl 7-oxo-5H,6H,7H-cyclopenta[c]pyridine-6-carboxylate,
52402-36-5,
SCHEMBL19852262,
AKOS027196485,
Z2168499575,
7-Oxo-6,7-dihydro-5H-cyclopenta[c]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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Lot Number