F95
Summary
| Name: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid |
| Formula: | C11 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 236.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[7,8-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC=1c2c(OC(=O)C=1)c(O)c(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H8O6/c12-7-2-1-6-5(3-8(13)14)4-9(15)17-11(6)10(7)16/h1-2,4,12,16H,3H2,(H,13,14) |
| InChIKey | InChI | 1.03 | LNRFNPKOQGRTFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CC1=CC(=O)Oc2c(O)c(O)ccc12 |
| SMILES | CACTVS | 3.370 | OC(=O)CC1=CC(=O)Oc2c(O)c(O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O |
