XQI
Summary
| Name: | METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE |
| Formula: | C9 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (3,5-dihydroxyphenyl)acetate |
| OpenEye OEToolkits | 1.7.0 | methyl 2-(3,5-dihydroxyphenyl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)Cc1cc(O)cc(O)c1 |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)Cc1cc(O)cc(O)c1 |
| SMILES | CACTVS | 3.370 | COC(=O)Cc1cc(O)cc(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(=O)Cc1cc(cc(c1)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)Cc1cc(cc(c1)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3 |
| InChIKey | InChI | 1.03 | LMLSBPHXMGSGCR-UHFFFAOYSA-N |
