Naphtho(2,3-b)furan-4,9-dione, 3,5-dimethyl-
PubChem CID: 3084387
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| Compound Synonyms | 22985-02-0, Naphtho(2,3-b)furan-4,9-dione, 3,5-dimethyl-, 3,5-dimethylbenzo[f][1]benzofuran-4,9-dione, 3,5-Dimethylnaphtho[2,3-b]furan-4,9-dione, 3,5-Dimethyl-naphtho(2,3-b)furan-4,9-dione, DTXSID00177529, Maturinone, 3,5-dimethylbenzo(f)(1)benzofuran-4,9-dione, CHEMBL4646987, DTXCID10100020 |
|---|---|
| Topological Polar Surface Area | 47.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dimethylbenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C14H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPZYZLPKCIMJGW-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -5.924 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.135 |
| Compound Name | Naphtho(2,3-b)furan-4,9-dione, 3,5-dimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6114557294117646 |
| Inchi | InChI=1S/C14H10O3/c1-7-4-3-5-9-10(7)13(16)11-8(2)6-17-14(11)12(9)15/h3-6H,1-2H3 |
| Smiles | CC1=C2C(=CC=C1)C(=O)C3=C(C2=O)C(=CO3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Sylvatica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Flourensia Cernua (Plant) Rel Props:Source_db:cmaup_ingredients