A1H40
Summary
| Name: | 3-(1~{H}-1,2,3,4-tetrazol-5-yl)benzoic acid |
| Formula: | C8 H6 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-1,2,3,4-tetrazol-5-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12) |
| InChIKey | InChI | 1.06 | MIERACSHCALJOM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2[nH]nnn2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2[nH]nnn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2[nH]nnn2 |
