3-Hydroxy-2-methoxyxanthen-9-one
PubChem CID: 5386264
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| Compound Synonyms | 3-hydroxy-2-methoxyxanthen-9-one, 33018-28-9, 3-Hydroxy-2-methoxyxanthone, 3-hydroxy-2-methoxy-xanthen-9-one, NSC605107, 3-HYDROXY-2-METHOXY-9H-XANTHEN-9-ONE, CHEMBL2397763, DTXSID10186662, NSC-605107, 9H-Xanthen-9-one, 3-hydroxy-2-methoxy-, B676297K173 3-Hydroxy-2-methoxyxanthone |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-hydroxy-2-methoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VVZBRQKEVJGCCA-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.635 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.688 |
| Compound Name | 3-Hydroxy-2-methoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8169815555555555 |
| Inchi | InChI=1S/C14H10O4/c1-17-13-6-9-12(7-10(13)15)18-11-5-3-2-4-8(11)14(9)16/h2-7,15H,1H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3O2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all