Pentanoic acid, 5-hydroxy-4-oxo-
PubChem CID: 10080438
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-Hydroxylevulinic acid, 5-hydroxy-4-oxo-pentanoic Acid, Pentanoic acid, 5-hydroxy-4-oxo-, 15925-30-1, SCHEMBL8069483, DTXSID00435212, AKOS006380882, PD194472 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-4-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C5H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVCNSAJVIFXBHU-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.165 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.306 |
| Compound Name | Pentanoic acid, 5-hydroxy-4-oxo- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 132.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.49596340000000005 |
| Inchi | InChI=1S/C5H8O4/c6-3-4(7)1-2-5(8)9/h6H,1-3H2,(H,8,9) |
| Smiles | C(CC(=O)O)C(=O)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients