3NP
Summary
| Name: | 3-NITROPROPANOIC ACID |
| Formula: | C3 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 119.076 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-nitropropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-nitropropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[N+](=O)[O-])C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C[N+](=O)[O-])C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6) |
| InChIKey | InChI | 1.03 | WBLZUCOIBUDNBV-UHFFFAOYSA-N |
