4SD
Summary
| Name: | 3-hydroxypentanedinitrile |
| Formula: | C5 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 110.114 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxypentanedinitrile |
| OpenEye OEToolkits | 1.9.2 | 3-oxidanylpentanedinitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CC#N)(CC#N)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2 |
| InChIKey | InChI | 1.03 | NMFITULDMUZCQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(CC#N)CC#N |
| SMILES | CACTVS | 3.385 | OC(CC#N)CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(C#N)C(CC#N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C#N)C(CC#N)O |
