20B
Summary
| Name: | 2-(3-hydroxyphenyl)-4H-chromen-4-one |
| Synonyms: | 3'-hydroxyflavone |
| Formula: | C15 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 238.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-hydroxyphenyl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-(3-hydroxyphenyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H |
| InChIKey | InChI | 1.03 | ISZWRZGKEWQACU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(c1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | Oc1cccc(c1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O |
