| CAS Number | 94718-66-8 |
| Catalog Number | AG00IIGZ(AGN-PC-0ONY0Q) |
| Chemical Name | 9H-pyrido[2,3-b]indole-6-carboxylic acid |
| IUPAC Name | 9H-pyrido[2,3-b]indole-6-carboxylic acid |
| InChI | InChI=1S/C12H8N2O2/c15-12(16)7-3-4-10-9(6-7)8-2-1-5-13-11(8)14-10/h1-6H,(H,13,14)(H,15,16) |
| InChI Key | NOPZGRYXKYSYBB-UHFFFAOYSA-N |
| MDL Number | MFCD18803925 |
| Molecular Formula | C12H8N2O2 |
| Molecular Weight | 212.2041 |
| SMILES | O=C(C1=CC2=C(NC3=NC=CC=C32)C=C1)O |
| Synonyms | 9H-pyrido[2,3-b]indole-6-carboxylic acid,
94718-66-8,
1H-Pyrido[2,3-b]indole-6-carboxylic acid,
SCHEMBL676547,
CS-0062119,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.208g/mol |
| Monoisotopic Mass | 212.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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