8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
PubChem CID: 10242936
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| Compound Synonyms | Coniochaeton A, Coniochaetone A, 168434-88-6, 8-hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione, CHEBI:70292, BS-1273, Q27138633, Z4767895543, 8-hydroxy-6-methyl-2,3-dihydro-cyclopenta[b]chromen-1,9-dione |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C13H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWADCDOVRHDLAF-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.897 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.727 |
| Compound Name | 8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 230.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.641351917647058 |
| Inchi | InChI=1S/C13H10O4/c1-6-4-8(15)12-10(5-6)17-9-3-2-7(14)11(9)13(12)16/h4-5,15H,2-3H2,1H3 |
| Smiles | CC1=CC(=C2C(=C1)OC3=C(C2=O)C(=O)CC3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Francoeuria Undulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:cmaup_ingredients