4-(Hydroxymethyl)-2,5-dihydrofuran-2-one
PubChem CID: 157706
Connections displayed (default: 10).
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| Compound Synonyms | 80904-75-2, 4-hydroxymethyl-5h-furan-2-one, 4-(hydroxymethyl)furan-2(5h)-one, 2(5H)-Furanone, 4-(hydroxymethyl)-, 4-(hydroxymethyl)-2,5-dihydrofuran-2-one, 3-(hydroxymethyl)-2H-furan-5-one, 4-(hydroxymethyl)-2(5H)-Furanone, MFCD20484654, T8RNT3YL82, SCHEMBL420617, 4-hydroxymethylfuran-2(5h)-one, DTXSID60230780, 4-(Hydroxymethyl)5H-furan-2-one, AKOS023600246, SB38848, SY153752, DB-075715, CS-0268577, EN300-141146, F2147-2092, Z1486015893, 838-723-6 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(hydroxymethyl)-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C5H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHSMEYAHRFTDFX-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.246 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.799 |
| Compound Name | 4-(Hydroxymethyl)-2,5-dihydrofuran-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 114.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.2241800000000002 |
| Inchi | InChI=1S/C5H6O3/c6-2-4-1-5(7)8-3-4/h1,6H,2-3H2 |
| Smiles | C1C(=CC(=O)O1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Canarium Album (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Clematis Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ilex Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Melicope Sarcococca (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Morus Rubra (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Nephelium Lappaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Plinia Cauliflora (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Pteris Australis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sideritis Nutans (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Stenomesson Miniatum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Uncaria Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Xylopia Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients