5-(Hydroxymethyl)-2-methylphenylboronic Acid - CAS 631909-12-1
Catalog: |
BB032044 |
Product Name: |
5-(Hydroxymethyl)-2-methylphenylboronic Acid |
CAS: |
631909-12-1 |
Synonyms: |
[5-(hydroxymethyl)-2-methylphenyl]boronic acid; [5-(hydroxymethyl)-2-methylphenyl]boronic acid |
IUPAC Name: | [5-(hydroxymethyl)-2-methylphenyl]boronic acid |
Description: | 5-(Hydroxymethyl)-2-methylphenylboronic Acid (CAS# 631909-12-1) is a useful research chemical compound. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)CO)C)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10-12H,5H2,1H3 |
InChI Key: | ABMKIRKBSCIMKL-UHFFFAOYSA-N |
Boiling Point: | 387.071 °C at 760 mmHg |
Density: | 1.213 g/cm3 |
LogP: | -0.83290 |
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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