4-(2-Methoxy-2-oxoethyl)phenylboronic Acid - CAS 454185-96-7
Catalog: |
BB025856 |
Product Name: |
4-(2-Methoxy-2-oxoethyl)phenylboronic Acid |
CAS: |
454185-96-7 |
Synonyms: |
[4-(2-methoxy-2-oxoethyl)phenyl]boronic acid; [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid |
IUPAC Name: | [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid |
Description: | 4-(2-Methoxy-2-oxoethyl)phenylboronic Acid (CAS# 454185-96-7) is a useful research chemical. |
Molecular Weight: | 193.99 |
Molecular Formula: | C9H11O4B |
Canonical SMILES: | B(C1=CC=C(C=C1)CC(=O)OC)(O)O |
InChI: | InChI=1S/C9H11BO4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5,12-13H,6H2,1H3 |
InChI Key: | CKXOGMXYISAZGN-UHFFFAOYSA-N |
Boiling Point: | 344.6 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
LogP: | -0.91810 |
Publication Number | Title | Priority Date |
WO-2021026479-A1 | Small molecule inhibitors of s1p2 receptor and uses thereof | 20190807 |
WO-2021019051-A1 | Inhibitors of human atgl | 20190730 |
US-2020239476-A1 | Gpr35 modulators | 20190124 |
WO-2020154492-A1 | Gpr35 modulators | 20190124 |
KR-20210119485-A | GPR35 modulators | 20190124 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.075039 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.075039 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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