4-Hydroxymethyl-2-methylphenylboronic acid - CAS 166386-66-9
Catalog: |
BB060843 |
Product Name: |
4-Hydroxymethyl-2-methylphenylboronic acid |
CAS: |
166386-66-9 |
Synonyms: |
4-Hydroxymethyl-2-methylphenylboronic acid; (4-(Hydroxymethyl)-2-methylphenyl)boronic acid; 4-(Hydroxymethyl)-2-methylphenylboronic acid; [4-(hydroxymethyl)-2-methylphenyl]boronic acid |
IUPAC Name: | [4-(hydroxymethyl)-2-methylphenyl]boronic acid |
Description: | 4-Hydroxymethyl-2-methylphenylboronic acid |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11BO3 |
Canonical SMILES: | B(C1=C(C=C(C=C1)CO)C)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,10-12H,5H2,1H3 |
InChI Key: | IYJFMZDMFLQDCO-UHFFFAOYSA-N |
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: | 60.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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