(8R)-8,9-dihydroxynona-4,6-diyn-3-one
PubChem CID: 130612579
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-8,9-dihydroxynona-4,6-diyn-3-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UKONNDAGJKZVAC-SECBINFHSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -1.032 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.332 |
| Compound Name | (8R)-8,9-dihydroxynona-4,6-diyn-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6752912 |
| Inchi | InChI=1S/C9H10O3/c1-2-8(11)5-3-4-6-9(12)7-10/h9-10,12H,2,7H2,1H3/t9-/m1/s1 |
| Smiles | CCC(=O)C#CC#C[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caesalpinia Minax (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients