4MU
Summary
| Name: | 7-hydroxy-4-methyl-2H-chromen-2-one |
| Synonyms: | 4-methylumbelliferone |
| Formula: | C10 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.169 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-hydroxy-4-methyl-2H-chromen-2-one |
| OpenEye OEToolkits | 1.5.0 | 7-hydroxy-4-methyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2Oc1cc(O)ccc1C(=C2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CC(=O)Oc2cc(O)ccc12 |
| SMILES | CACTVS | 3.341 | CC1=CC(=O)Oc2cc(O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CC(=O)Oc2c1ccc(c2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CC(=O)Oc2c1ccc(c2)O |
| InChI | InChI | 1.03 | InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 |
| InChIKey | InChI | 1.03 | HSHNITRMYYLLCV-UHFFFAOYSA-N |
