2H-1-Benzopyran-2-one, 5,7-dihydroxy-
PubChem CID: 5324654
Connections displayed (default: 10).
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| Compound Synonyms | 5,7-Dihydroxycoumarin, 5,7-dihydroxy-2H-chromen-2-one, 2732-18-5, 5,7-dihydroxychromen-2-one, 2H-1-Benzopyran-2-one, 5,7-dihydroxy-, MFCD00488354, DTXSID80181765, NSC 108415, NSC108415, 5,7-dihydroxy-coumarin, Coumarin derivative, 1a, 5,7-Dihydroxy-chromen-2-one, CHEMBL156000, SCHEMBL1860857, BDBM93216, DTXCID20104256, AKOS006228057, DS-1820, HY-W072009, NSC-108415, AC-26503, PD158402, SY033827, 5 pound not7-Dihydroxy-2H-chromen-2-one, CS-0103308, EN300-7361732, InChI=1/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11, 964-920-2 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIQQFVJHWNCGAU-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.363 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.969 |
| Compound Name | 2H-1-Benzopyran-2-one, 5,7-dihydroxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 178.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2050173692307689 |
| Inchi | InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H |
| Smiles | C1=CC(=O)OC2=CC(=CC(=C21)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Heterophylloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Astragalus Cibarius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Boehmeria Tricuspis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carica Pennata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Hylotelephium Telephium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Libanothamnus Occultus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Veratrum Dahuricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Vernonia Menthaefolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all