(E)-10-Oxo-8-decenoic acid
PubChem CID: 12431569
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| Compound Synonyms | (E)-10-oxodec-8-enoic acid, (E)-10-Oxo-8-decenoic acid, 69152-89-2, 10-oxo-trans-8-decenoic acid, 8-Decenoic acid, 10-oxo-, (E)-, (8E)-10-oxodec-8-enoic acid, 10-oxo-8-decenoic acid, starbld0008780, 10-Oxo-8E-decenoic acid, SCHEMBL1853101, SCHEMBL1853104, CHEBI:168922, YUAQBOMIASXPQW-FNORWQNLSA-N, LMFA01030949 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | Constituent of the mushroom Agaricus bisporus (button mushroom). (E)-10-Oxo-8-decenoic acid is found in mushrooms. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-10-oxodec-8-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YUAQBOMIASXPQW-FNORWQNLSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.39 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.609 |
| Synonyms | 10-Oxo-8E-decenoic acid |
| Compound Name | (E)-10-Oxo-8-decenoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.6449569999999998 |
| Inchi | InChI=1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,9H,1-4,6,8H2,(H,12,13)/b7-5+ |
| Smiles | C(CCCC(=O)O)CC/C=C/C=O |
| Nring | 11.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients