| CAS Number | 2096332-52-2 |
| Catalog Number | AG01EHH4 |
| Chemical Name | 2-(1-Hydroxyethyl)-5-methoxyphenylboronic acid |
| IUPAC Name | [2-(1-hydroxyethyl)-5-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C9H13BO4/c1-6(11)8-4-3-7(14-2)5-9(8)10(12)13/h3-6,11-13H,1-2H3 |
| InChI Key | QURCMQMWZAMRLY-UHFFFAOYSA-N |
| MDL Number | MFCD18837606 |
| Molecular Formula | C9H13BO4 |
| Molecular Weight | 196.0081 |
| SMILES | OC(C)C1=C(C=C(C=C1)OC)B(O)O |
| Synonyms | 2-(1-Hydroxyethyl)-5-methoxyphenylboronic acid,
2096332-52-2,
(2-(1-Hydroxyethyl)-5-methoxyphenyl)boronic acid,
MFCD18837606,
Y2133,
A-3158,
C9H13BO4,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.009g/mol |
| Monoisotopic Mass | 196.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number