Sulfurous acid, 2-ethylhexyl nonyl ester
PubChem CID: 6420774
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| Compound Synonyms | Sulfurous acid, 2-ethylhexyl nonyl ester, RLPZSBCGYLETMW-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 54.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethylhexyl nonyl sulfite |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C17H36O3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | RLPZSBCGYLETMW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.817 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.942 |
| Compound Name | Sulfurous acid, 2-ethylhexyl nonyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.239 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.239 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 320.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.357741800000001 |
| Inchi | InChI=1S/C17H36O3S/c1-4-7-9-10-11-12-13-15-19-21(18)20-16-17(6-3)14-8-5-2/h17H,4-16H2,1-3H3 |
| Smiles | CCCCCCCCCOS(=O)OCC(CC)CCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients