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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
25
Total Number of Articles : 23
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| PubChem |
14239884
|
| Molecular Formula |
C13H22O4 |
| SMILES |
CCCCCCCCOC(=O)CC(=C)C(=O)O |
| InChI |
InChI=1S/C13H22O4/c1-3-4-5-6-7-8-9-17-12(14)10-11(2)13(15)16/h2-10H2,1H3,(H,15,16) |
| synonyms |
- 4-Octyl Itaconate
- 3133-16-2
- 2-Methylene-4-(octyloxy)-4-oxobutanoic acid
- 2-methylidene-4-(octyloxy)-4-oxobutanoic acid
- Itaconic acid 4-octyl ester
- 4-OctylItaconate
- SCHEMBL3681702
- CHEMBL5219743
- GLXC-20106
- BCP31060
- MFCD31706409
- s5929
- AKOS037515607
- 2-Methylene-4-octoxy-4-oxo-butanoic acid
- 2-methylidene-4-octoxy-4-oxobutanoic acid
- HY-112675
- CS-0062483
- D70050
- Monooctyl Itaconate ;4 Octyl Itaconate; 4-Octyl-Itaconate
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| Properties |
| Property |
Value |
| MW |
242.31 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
11 |
| Exact Mass |
242.15180918 g/mol |
| Monoisotopic Mass |
242.15180918 g/mol |
| Heavy Atom Count |
17 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
258 |
| xlogp |
3.6 |
| Topological Polar Surface Area |
63.6 |
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