7-Hydroxy-2-oxochromene-8-carboxylic acid
PubChem CID: 90946065
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| Topological Polar Surface Area | 83.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-oxochromene-8-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H6O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWQSBELIZGCPLE-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.603 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.549 |
| Compound Name | 7-Hydroxy-2-oxochromene-8-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 206.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5014323333333328 |
| Inchi | InChI=1S/C10H6O5/c11-6-3-1-5-2-4-7(12)15-9(5)8(6)10(13)14/h1-4,11H,(H,13,14) |
| Smiles | C1=CC(=C(C2=C1C=CC(=O)O2)C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peucedanum Praeruptorum (Plant) Rel Props:Source_db:cmaup_ingredients