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Summary
| Name: | 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one |
| Formula: | C10 H7 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 210.614 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one |
| OpenEye OEToolkits | 1.9.2 | 6-chloranyl-4-methyl-7-oxidanyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2c(O)cc1OC(=O)C=C(c1c2)C |
| InChI | InChI | 1.03 | InChI=1S/C10H7ClO3/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,12H,1H3 |
| InChIKey | InChI | 1.03 | JTXAGHXRIBLWES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)Oc2cc(O)c(Cl)cc12 |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)Oc2cc(O)c(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=CC(=O)Oc2c1cc(c(c2)O)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=CC(=O)Oc2c1cc(c(c2)O)Cl |
