3-(Hydroxymethyl)-4-methylphenylboronic Acid - CAS 1451391-54-0
Catalog: |
BB009894 |
Product Name: |
3-(Hydroxymethyl)-4-methylphenylboronic Acid |
CAS: |
1451391-54-0 |
Synonyms: |
[3-(hydroxymethyl)-4-methylphenyl]boronic acid; [3-(hydroxymethyl)-4-methylphenyl]boronic acid |
IUPAC Name: | [3-(hydroxymethyl)-4-methylphenyl]boronic acid |
Description: | 3-(Hydroxymethyl)-4-methylphenylboronic Acid (CAS# 1451391-54-0) is a useful research chemical. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C)CO)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-4,10-12H,5H2,1H3 |
InChI Key: | FWRHGZABAOAWSQ-UHFFFAOYSA-N |
MDL: | MFCD11617258 |
LogP: | -0.83290 |
Publication Number | Title | Priority Date |
WO-2020210229-A1 | Degraders of kelch-like ech-associated protein 1 (keap1) | 20190408 |
US-2020055874-A1 | INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION | 20180820 |
WO-2020041169-A2 | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
TW-202021594-A | Inhibitors of keap1-nrf2 protein-protein interaction | 20180820 |
US-10947252-B2 | Inhibitors of KEAP1-Nrf2 protein-protein interaction | 20180820 |
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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