HOM
Summary
| Name: | 7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN |
| Formula: | C12 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 220.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one |
| OpenEye OEToolkits | 1.5.0 | 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2Oc1cc(O)ccc1C(=C2CCO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(CCO)C(=O)Oc2cc(O)ccc12 |
| SMILES | CACTVS | 3.341 | CC1=C(CCO)C(=O)Oc2cc(O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)Oc2c1ccc(c2)O)CCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)Oc2c1ccc(c2)O)CCO |
| InChI | InChI | 1.03 | InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3 |
| InChIKey | InChI | 1.03 | VCGFYFKJZGIZMX-UHFFFAOYSA-N |
