HFL
Summary
| Name: | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL |
| Formula: | C10 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 212.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-[(1E)-3,3-dihydroxyprop-1-en-1-yl]-3-methoxybenzene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | 5-[(E)-3,3-dihydroxyprop-1-enyl]-3-methoxy-benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1cc(cc(O)c1O)/C=C/C(O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(\C=C\C(O)O)cc(O)c1O |
| SMILES | CACTVS | 3.341 | COc1cc(C=CC(O)O)cc(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1O)O)\C=C\C(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1O)O)C=CC(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+ |
| InChIKey | InChI | 1.03 | QQVLKPZAOPJJCB-NSCUHMNNSA-N |
