KLV
Summary
| Name: | 4-methylumbelliferyl phosphate |
| Synonyms: | 4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate |
| Formula: | C10 H9 O6 P |
| Formal charge: | 0 |
| Formula weight: | 256.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | (4-methyl-2-oxidanylidene-chromen-7-yl) dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | BCHIXGBGRHLSBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Oc2cc(O[P](O)(O)=O)ccc12 |
| SMILES | CACTVS | 3.370 | CC1=CC(=O)Oc2cc(O[P](O)(O)=O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O |
