I9A
Summary
| Name: | (1s,4s)-bicyclo[2.2.1]heptane |
| Formula: | C7 H12 |
| Formal charge: | 0 |
| Formula weight: | 96.17 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1s,4s)-bicyclo[2.2.1]heptane |
| OpenEye OEToolkits | 2.0.7 | bicyclo[2.2.1]heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CC2CCC1C2 |
| InChI | InChI | 1.06 | InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2/t6-,7+ |
| InChIKey | InChI | 1.06 | UMRZSTCPUPJPOJ-KNVOCYPGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC2CCC1C2 |
| SMILES | CACTVS | 3.385 | C1CC2CCC1C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC2CCC1C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2CCC1C2 |
