OY7
Summary
Name: | (4-ethanoylphenyl)boronic acid |
Synonyms: | 4-Acetylphenylboronic acid |
Formula: | C8 H9 B O3 |
Formal charge: | 0 |
Formula weight: | 163.966 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (4-ethanoylphenyl)boronic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3 |
InChIKey | InChI | 1.06 | OBQRODBYVNIZJU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(cc1)B(O)O |
SMILES | CACTVS | 3.385 | CC(=O)c1ccc(cc1)B(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)C(=O)C)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(cc1)C(=O)C)(O)O |