VGL
Summary
| Name: | PYRAZINE-2-CARBOXYLIC ACID |
| Synonyms: | PYRAZINOIC ACID |
| Formula: | C5 H4 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 124.097 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pyrazine-2-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | pyrazine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1nccnc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1cnccn1 |
| SMILES | CACTVS | 3.352 | OC(=O)c1cnccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cnc(cn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cnc(cn1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9) |
| InChIKey | InChI | 1.03 | NIPZZXUFJPQHNH-UHFFFAOYSA-N |
