A1JLG
Summary
| Name: | 3-(1~{H}-1,2,3-triazol-4-ylmethoxy)propanal |
| Formula: | C6 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 155.155 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-1,2,3-triazol-4-ylmethoxy)propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H9N3O2/c10-2-1-3-11-5-6-4-7-9-8-6/h2,4H,1,3,5H2,(H,7,8,9) |
| InChIKey | InChI | 1.06 | CVXQMMNMBYNTFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=CCCOCc1c[nH]nn1 |
| SMILES | CACTVS | 3.385 | O=CCCOCc1c[nH]nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nn[nH]1)COCCC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nn[nH]1)COCCC=O |
