OMD
Summary
| Name: | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID |
| Synonyms: | HOMOGENTISIC ACID |
| Formula: | C8 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 168.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2,5-dihydroxyphenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2,5-dihydroxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)Cc1cc(O)ccc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1cc(O)ccc1O |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1cc(O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1O)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1O)CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | IGMNYECMUMZDDF-UHFFFAOYSA-N |
