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 | |||
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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 |
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PubChem | 90716 |