11-Hydroxyundecanoic acid
PubChem CID: 77237
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| Compound Synonyms | 11-Hydroxyundecanoic acid, 3669-80-5, Undecanoic acid, 11-hydroxy-, SD6J9LX2XK, 11-hydroxy-undecanoic acid, omega-hydroxy hendecanoic acid, EINECS 222-932-9, MFCD00041564, omega-hydroxyhendecanoic acid, 11-HUDA, CHEBI:79126, DTXSID40190136, UNII-SD6J9LX2XK, SCHEMBL275368, DTXCID50112627, 11-Hydroxyundecanoic acid, 96%, KNRCBASNXNXUQQ-UHFFFAOYSA-N, ?-HYDROXY HENDECANOIC ACID, BBL100088, GEO-02638, LMFA01050035, STK090724, AKOS005394200, GS-0673, NCGC00339876-01, SY254019, CS-0204838, NS00030080, E84103, AB01332653-02, Q27148186, 222-932-9 |
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| 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 | OCCCCCCCCCCC=O)O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Hydroxy acids and derivatives |
| Classyfire Subclass | Medium-chain hydroxy acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-hydroxyundecanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H22O3 |
| Inchi Key | KNRCBASNXNXUQQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 11-hydroxyundecanoic acid, undecanoic acid, 11-hydroxy |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 11-Hydroxyundecanoic acid |
| Exact Mass | 202.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 202.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14) |
| Smiles | C(CCCCCO)CCCCC(=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 Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Naringi Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279