3-Hydroxyquinaldic acid
PubChem CID: 194859
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| Compound Synonyms | 3-Hydroxyquinoline-2-carboxylic acid, 15462-45-0, 3-Hydroxyquinaldic acid, 3-hydroxy-2-quinolinecarboxylic acid, 3-Hydroxy-2-quinolinecarboxylic Acid, 3-Hydroxyquinaldic Acid, , MFCD08705721, Hydroxy-chinolin-carbonsaure, SCHEMBL60874, 3-Hydroxyquinoline-2-carboxylate, 3-Hydroxyquinoline-2-carboxylicacid, ZB0150, 3-hydroxy-quinoline-2-carboxylic acid, AKOS006289296, SB68312, BS-50895, DB-081653, CS-0136370, C18621, D83313, Q27461187 |
|---|---|
| Topological Polar Surface Area | 70.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxyquinoline-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHKZBVQIMVUGIH-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.611 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.027 |
| Compound Name | 3-Hydroxyquinaldic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 189.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 189.043 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 189.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8929254285714285 |
| Inchi | InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14) |
| Smiles | C1=CC=C2C(=C1)C=C(C(=N2)C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Virginiana (Plant) Rel Props:Source_db:cmaup_ingredients