7-Oxotetradecanoic acid
PubChem CID: 14402359
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| Compound Synonyms | 7-Oxotetradecanoic acid, 54527-27-4, DTXSID60559903, 7-Oxomyristic acid, SCHEMBL7776593, DTXCID90510683, CHEBI:180095, LMFA01060189, DB-296827 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-oxotetradecanoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C14H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDYSHNKYPKNGES-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Rotatable Bond Count | 12.0 |
| Compound Name | 7-Oxotetradecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.188 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 242.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.001325799999999 |
| Inchi | InChI=1S/C14H26O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-12H2,1H3,(H,16,17) |
| Smiles | CCCCCCCC(=O)CCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients