| CAS Number | 221006-65-1 |
| Catalog Number | AG00BJ93(AGN-PC-0WP1O4) |
| Chemical Name | 4-(2-Hydroxyethoxy)phenylboronic acid |
| IUPAC Name | [4-(2-hydroxyethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C8H11BO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10-12H,5-6H2 |
| InChI Key | DYXUTUGXJBKZLD-UHFFFAOYSA-N |
| MDL Number | MFCD22414430 |
| Molecular Formula | C8H11BO4 |
| Molecular Weight | 181.9815 |
| SMILES | OCCOc1ccc(cc1)B(O)O |
| Synonyms | 4-(2-hydroxyethoxy)phenylboronic acid,
221006-65-1,
(4-(2-Hydroxyethoxy)phenyl)boronic acid,
SCHEMBL5839500,
AKOS026671102,
ZINC196138341,
SC-53161,
Boronic acid, B-[4-(2-hydroxyethoxy)phenyl]-,
CID10176390,
[4-(2-hydroxyethoxy)phenyl]boronic Acid,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.982g/mol |
| Monoisotopic Mass | 182.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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