8MC
Summary
| Name: | (7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid |
| Formula: | C12 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 234.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(7-methoxy-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)cc(OC)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | ZEKAXIFHLIITGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2C(=CC(=O)Oc2c1)CC(O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc2C(=CC(=O)Oc2c1)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)OC(=O)C=C2CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)OC(=O)C=C2CC(=O)O |
