9-Oxo-2,4,5,7-decatetraenoic acid
PubChem CID: 137030663
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| Compound Synonyms | 61947-93-1, LA-1, 9-oxo-2,4,5,7-decatetraenoic acid, 9-Oxodeca-2,4,5,7-tetraenoic acid, DTXSID80701482, DB-296946 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 254.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-oxodeca-2,4,7-trienoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWIJHDVNVFLSFB-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -1.409 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.305 |
| Compound Name | 9-Oxo-2,4,5,7-decatetraenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -1.0587593999999998 |
| Inchi | InChI=1S/C10H10O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H,1H3 |
| Smiles | CC(=O)C=C[CH+]C=CC=CC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thespesia Populnea (Plant) Rel Props:Source_db:cmaup_ingredients