M12
10-METHYLUNDECANOIC ACID
| Created: | 2010-07-29 |
| Last modified: | 2025-05-08 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 0 |
| Bond Count | 37 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 10-METHYLUNDECANOIC ACID |
| Systematic Name (OpenEye OEToolkits) | 10-methylundecanoic acid |
| Formula | C12 H24 O2 |
| Molecular Weight | 200.318 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCCC(C)C |
| SMILES | CACTVS | 3.352 | CC(C)CCCCCCCCC(O)=O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CCCCCCCCC(=O)O |
| Canonical SMILES | CACTVS | 3.352 | CC(C)CCCCCCCCC(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CCCCCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | QJRRBVNPIKYRQJ-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 75942 |
| ChEBI | CHEBI:84889 |














