Methyl 8-hydroxyoctanoate
PubChem CID: 554055
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| Compound Synonyms | Methyl 8-hydroxyoctanoate, 20257-95-8, Octanoic acid, 8-hydroxy-, methyl ester, DTXSID00339140, Methyl8-hydroxyoctanoate, Methyl-8-hydroxy-octanoate, Methyl 8-hydroxyoctanoate #, Methyl 8-hydroxyoctanoic acid, SCHEMBL2563091, DTXCID00290222, 8-Hydroxyoctanoic acid methyl ester, MFCD32859587, SY296010, E86282, EN300-25095901, 873-896-1 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 8-hydroxyoctanoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C9H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ADTIBIOIERBRIB-UHFFFAOYSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -1.353 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.234 |
| Compound Name | Methyl 8-hydroxyoctanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 174.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 174.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.349888 |
| Inchi | InChI=1S/C9H18O3/c1-12-9(11)7-5-3-2-4-6-8-10/h10H,2-8H2,1H3 |
| Smiles | COC(=O)CCCCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Typha Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients