6F5
6-methylheptanoic acid
| Created: | 2016-04-13 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 26 |
| Chiral Atom Count | 0 |
| Bond Count | 25 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 6-methylheptanoic acid |
| Systematic Name (OpenEye OEToolkits) | 6-methylheptanoic acid |
| Formula | C8 H16 O2 |
| Molecular Weight | 144.211 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | CC(C)CCCCC(O)=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)CCCCC(=O)O |
| Canonical SMILES | CACTVS | 3.385 | CC(C)CCCCC(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChIKey | InChI | 1.03 | OEOIWYCWCDBOPA-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 90716 |














