3-(Hydroxymethyl)-5-methylphenylboronic Acid - CAS 1451391-46-0
Catalog: |
BB009893 |
Product Name: |
3-(Hydroxymethyl)-5-methylphenylboronic Acid |
CAS: |
1451391-46-0 |
Synonyms: |
[3-(hydroxymethyl)-5-methylphenyl]boronic acid; [3-(hydroxymethyl)-5-methylphenyl]boronic acid |
IUPAC Name: | [3-(hydroxymethyl)-5-methylphenyl]boronic acid |
Description: | 3-(Hydroxymethyl)-5-methylphenylboronic Acid (CAS# 1451391-46-0) is a useful research chemical. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=CC(=CC(=C1)CO)C)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10-12H,5H2,1H3 |
InChI Key: | XAHBYOREXCQDRQ-UHFFFAOYSA-N |
LogP: | -0.83290 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0801244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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