9-(Methylsulfinyl)nonanoic acid
PubChem CID: 121232646
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| Compound Synonyms | 9-(methylsulfinyl)nonanoic acid, 8-MeSO-octyl-CO2H, 9-methanesulfinylnonanoic acid, 9-(methanesulfinyl)nonanoic acid, CHEBI:91156, Q27163092 |
|---|---|
| Topological Polar Surface Area | 73.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methylsulfinylnonanoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | False |
| Molecular Formula | C10H20O3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | XZYIQKMSOAQJCG-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 9-(Methylsulfinyl)nonanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.113 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 220.113 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 220.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5633707999999997 |
| Inchi | InChI=1S/C10H20O3S/c1-14(13)9-7-5-3-2-4-6-8-10(11)12/h2-9H2,1H3,(H,11,12) |
| Smiles | CS(=O)CCCCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients