3XH
Summary
| Name: | 3-Hydroxyhippuric acid |
| Synonyms: | N-[(3-hydroxyphenyl)carbonyl]glycine |
| Formula: | C9 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.172 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(3-hydroxyphenyl)carbonyl]glycine |
| OpenEye OEToolkits | 1.5.0 | 2-[(3-hydroxyphenyl)carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1cc(O)ccc1)NCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CNC(=O)c1cccc(O)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)CNC(=O)c1cccc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)O)C(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)O)C(=O)NCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) |
| InChIKey | InChI | 1.03 | XDOFWFNMYJRHEW-UHFFFAOYSA-N |
