A1H1U
Summary
| Name: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
| Synonyms: | 4'-methylflavone |
| Formula: | C9 H9 B O4 |
| Formal charge: | 0 |
| Formula weight: | 191.976 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | ZJBJWSMUEYQHQD-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1O[C@H](CC(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | OB1O[CH](CC(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2[C@H](O1)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2C(O1)CC(=O)O)O |
