| CAS Number | 591768-76-2 |
| Catalog Number | AG019S87(AGN-PC-00PJCJ) |
| Chemical Name | 5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid |
| IUPAC Name | 6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C9H9NO2/c11-9(12)7-4-6-2-1-3-10-8(6)5-7/h1-3,7H,4-5H2,(H,11,12) |
| InChI Key | SXYQKNZFBKJRMY-UHFFFAOYSA-N |
| MDL Number | MFCD20645773 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | OC(C1CC2=C(C=CC=N2)C1)=O |
| Synonyms | 591768-76-2,
5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid,
6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid,
SCHEMBL369170,
SXYQKNZFBKJRMY-UHFFFAOYSA-N,
AKOS014776611,
FT-0736973,
6,7-Dihydro-5H-[1]pyrindine-6-carboxylic acid,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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