A1I3I
Summary
| Name: | 1-[(2~{R})-oxan-2-yl]pyrazole |
| Formula: | C8 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 152.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R})-oxan-2-yl]pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H12N2O/c1-2-7-11-8(4-1)10-6-3-5-9-10/h3,5-6,8H,1-2,4,7H2/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | IMZWSOSYNFVECD-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC[C@@H](OC1)n2cccn2 |
| SMILES | CACTVS | 3.385 | C1CC[CH](OC1)n2cccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)[C@H]2CCCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)C2CCCCO2 |
