QFS
Summary
| Name: | 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate |
| Formula: | C9 H13 B O4 |
| Formal charge: | 0 |
| Formula weight: | 196.008 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate |
| OpenEye OEToolkits | 2.0.7 | 2-hydroxyethyloxy-(3-methoxyphenyl)borinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1B(OCCO)O)OC |
| InChI | InChI | 1.03 | InChI=1S/C9H13BO4/c1-13-9-4-2-3-8(7-9)10(12)14-6-5-11/h2-4,7,11-12H,5-6H2,1H3 |
| InChIKey | InChI | 1.03 | ZOVRPEMVSXQSPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)B(O)OCCO |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)B(O)OCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)OC)(O)OCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)OC)(O)OCCO |
