3X1
Summary
| Name: | (2E)-dodec-2-enoic acid |
| Formula: | C12 H22 O2 |
| Formal charge: | 0 |
| Formula weight: | 198.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-dodec-2-enoic acid |
| OpenEye OEToolkits | 1.9.2 | (E)-dodec-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)/C=C/CCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+ |
| InChIKey | InChI | 1.03 | PAWGRNGPMLVJQH-ZHACJKMWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC/C=C/C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCCC/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCC=CC(=O)O |
