5-Hydroxy-2-hydroxymethyl-4h-chromen-4-one
PubChem CID: 42604935
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-hydroxy-2-hydroxymethyl-4h-chromen-4-one, CHEBI:200923, 5-hydroxy-2-(hydroxymethyl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(hydroxymethyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C10H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ITSDTMBVFOEMOC-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -3.252 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.014 |
| Compound Name | 5-Hydroxy-2-hydroxymethyl-4h-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 192.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5381254285714285 |
| Inchi | InChI=1S/C10H8O4/c11-5-6-4-8(13)10-7(12)2-1-3-9(10)14-6/h1-4,11-12H,5H2 |
| Smiles | C1=CC(=C2C(=C1)OC(=CC2=O)CO)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Confusa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Davallia Mariesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Erica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Isodon Lihsienensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Phoebe Clemensii (Plant) Rel Props:Source_db:cmaup_ingredients