4-Hydroxy-5-methylcoumarin
PubChem CID: 54688203
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-hydroxy-5-methylcoumarin, 24631-87-6, 4-Hydroxy-5-methyl-2H-chromen-2-one, HMC cpd, 2-hydroxy-5-methyl-chromone, SCHEMBL5346812, SCHEMBL8537987, MFCD18450601, SY309884 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-5-methylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGMVRLBDQDWGRZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.434 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.994 |
| Compound Name | 4-Hydroxy-5-methylcoumarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 176.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9109909692307692 |
| Inchi | InChI=1S/C10H8O3/c1-6-3-2-4-8-10(6)7(11)5-9(12)13-8/h2-5,11H,1H3 |
| Smiles | CC1=C2C(=CC=C1)OC(=O)C=C2O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lonicera Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Phlomis Brunneogaleata (Plant) Rel Props:Source_db:cmaup_ingredients