8-Hydroxynonanoic acid
PubChem CID: 5312792
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| Compound Synonyms | 8-hydroxynonanoic acid, 75544-92-2, Nonanoic acid, 8-hydroxy-, 8-hydroxy-nonanoic acid, 8-Hydroxy Pelargonic Acid, SCHEMBL1882219, DTXSID10415601, CHEBI:180198, ZQGUXJLCOPSLHD-UHFFFAOYSA-N, LMFA01050231, G68120 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCC=O)O))))))))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Hydroxy acids and derivatives |
| Classyfire Subclass | Medium-chain hydroxy acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxynonanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O3 |
| Inchi Key | ZQGUXJLCOPSLHD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 8-hydroxynonanoic acid |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 8-Hydroxynonanoic acid |
| Exact Mass | 174.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 174.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H18O3/c1-8(10)6-4-2-3-5-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12) |
| Smiles | CC(CCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279