3CR
Summary
| Name: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid |
| Formula: | C9 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 179.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2E)-2-hydroxyimino-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C(=N\O)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8+ |
| InChIKey | InChI | 1.03 | PNTMGOUAICFJQK-CSKARUKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O/N=C(Cc1ccccc1)/C(O)=O |
| SMILES | CACTVS | 3.385 | ON=C(Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C/C(=N\O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(=NO)C(=O)O |
