Nonanoic acid, 9-hydroxy-, methyl ester
PubChem CID: 292983
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| Compound Synonyms | Methyl 9-hydroxynonanoate, 34957-73-8, 9-Hydroxypelargonic Acid Methyl Ester, 8-METHOXYCARBONYLOCTANOL, 9-Hydroxynonanoic Acid Methyl Ester, Nonanoic acid, 9-hydroxy-, methyl ester, 9-Hydroxy-n-nonanoic acid methyl ester, MFCD00191518, 9-hydroxy-nonanoic acid methyl ester, 9-Hydroxynonanoic Acid Methyl Ester, Methyl 9-Hydroxynonanoate, NSC 159261, , 8-carbomethoxyoctan-1-ol, methyl-9-hydroxy-nonanoate, Methyl 9-Hydroxypelargonate, 8-Methoxycarbonyl-1-octanol, Methyl 9-hydroxynonanoate #, SCHEMBL1194313, DTXSID10303599, NSC159261, AKOS015856510, CS-W016785, FM25290, HY-W016069, NSC-159261, SY032007, DB-048705, H0835, S10650, 9-Hydroxynonanoic acid methyl ester, Methyl 9-hydroxynonanoate |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 9-hydroxynonanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIZOOQYPYGPBOC-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -1.813 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.714 |
| Compound Name | Nonanoic acid, 9-hydroxy-, methyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8496553999999998 |
| Inchi | InChI=1S/C10H20O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h11H,2-9H2,1H3 |
| Smiles | COC(=O)CCCCCCCCO |
| 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