1,4-Benzodioxane-5-boronic Acid - CAS 499769-88-9
Catalog: |
BB026872 |
Product Name: |
1,4-Benzodioxane-5-boronic Acid |
CAS: |
499769-88-9 |
Synonyms: |
2,3-dihydro-1,4-benzodioxin-5-ylboronic acid; 2,3-dihydro-1,4-benzodioxin-5-ylboronic acid |
IUPAC Name: | 2,3-dihydro-1,4-benzodioxin-5-ylboronic acid |
Description: | 1,4-Benzodioxane-5-boronic Acid (CAS# 499769-88-9) is a useful research chemical. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9O4B |
Canonical SMILES: | B(C1=C2C(=CC=C1)OCCO2)(O)O |
InChI: | InChI=1S/C8H9BO4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3,10-11H,4-5H2 |
InChI Key: | MCWPMXPNJVZOTP-UHFFFAOYSA-N |
LogP: | -0.86240 |
Publication Number | Title | Priority Date |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2021023813-A1 | 5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists | 20190806 |
WO-2020214537-A1 | Modulators of ras gtpase | 20190415 |
US-2020165249-A1 | Functionalized heterocycles as antiviral agents | 20181121 |
KR-20210093951-A | Functionalized Heterocycles as Antiviral Agents | 20181121 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0593889 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0593889 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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