(4E,6E)-3-hydroxydeca-4,6-dienoate
PubChem CID: 91972206
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| Compound Synonyms | (4E,6E)-3-hydroxydeca-4,6-dienoate, CHEBI:87778, Q27159925 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | PHDSHECSYICDQB-YTXTXJHMSA-M |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Compound Name | (4E,6E)-3-hydroxydeca-4,6-dienoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 183.102 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 183.102 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 189.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 183.22 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,6E)-3-hydroxydeca-4,6-dienoate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Prediction Hob | 1.0 |
| Esol | -2.4763073999999996 |
| Inchi | InChI=1S/C10H16O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h4-7,9,11H,2-3,8H2,1H3,(H,12,13)/p-1/b5-4+,7-6+ |
| Smiles | CCC/C=C/C=C/C(CC(=O)[O-])O |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C10H15O3- |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients