6-hydroxy-2H-chromen-2-one
PubChem CID: 99477
Connections displayed (default: 10).
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| Compound Synonyms | 6-Hydroxycoumarin, 6093-68-1, 6-Hydroxy-2H-chromen-2-one, 6-hydroxychromen-2-one, 2H-1-Benzopyran-2-one, 6-hydroxy-, 6-hydroxy coumarin, 6-Hydroxycoumaran, 6-Hydroxy-2H-1-benzopyran-2-one, MFCD00630040, CHEMBL243263, 7FS6H939K6, NSC677227, NSC-226192, NSC-677227, 2H-1-Benzopyran-2-one,6-hydroxy-, NSC226192, 6-Hydroxycoumarin, 96%, 6-hydroxy-chromene-2-one, SCHEMBL187709, UNII-7FS6H939K6, 6-Hydroxy-2H-chromen-2-one #, DTXSID70209760, HY-N6656, BDBM50327651, s9364, AKOS005258623, CCG-266293, FH59709, NSC 226192, AC-34657, AS-17834, PD087275, SY051111, DB-053747, CS-0083182, H1327, N12041, 628-689-9 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16790, P00918, P00915, O43570, P15121, Q00796, n.a., Q16236, Q07820 |
| Iupac Name | 6-hydroxychromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT41, NPT948, NPT949, NPT57 |
| Xlogp | 1.0 |
| Molecular Formula | C9H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CJIJXIFQYOPWTF-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.206 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.248 |
| Compound Name | 6-hydroxy-2H-chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3737594666666666 |
| Inchi | InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H |
| Smiles | C1=CC2=C(C=CC(=O)O2)C=C1O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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