| CAS Number | 90800-42-3 |
| Catalog Number | AG003A46(AGN-PC-0WD0Y2) |
| Chemical Name | 8-Hydroxyquinoline-6-carboxylic acid |
| IUPAC Name | 8-hydroxyquinoline-6-carboxylic acid |
| InChI | InChI=1S/C10H7NO3/c12-8-5-7(10(13)14)4-6-2-1-3-11-9(6)8/h1-5,12H,(H,13,14) |
| InChI Key | ZGLIIKDKLCETFI-UHFFFAOYSA-N |
| MDL Number | MFCD18417146 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | O=C(C1=CC(O)=C2N=CC=CC2=C1)O |
| Synonyms | 8-hydroxyquinoline-6-carboxylic acid,
90800-42-3,
8-Hydroxy-6-quinolinecarboxylic acid,
AC1O5CL7,
SCHEMBL14305637,
KS-00000QWL,
ZINC34084699,
AKOS027321492,
6-Quinolinecarboxylic acid, 8-hydroxy-,
AK311511,
DS-11740,
AIDS339123,
CID6481988,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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