NPA
Summary
| Name: | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID |
| Formula: | C8 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 197.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4-hydroxy-3-nitrophenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-hydroxy-3-nitro-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=[N+]([O-])c1cc(ccc1O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | QBHBHOSRLDPIHG-UHFFFAOYSA-N |
