Benzo[d][1,3]dioxol-4-ol - CAS 69393-72-2
Catalog: |
BB033804 |
Product Name: |
Benzo[d][1,3]dioxol-4-ol |
CAS: |
69393-72-2 |
Synonyms: |
2H-1,3-Benzodioxol-4-ol; 2,3-Methylenedioxyphenol; 4-Hydroxy-1,3-benzodioxole;1,3-Benzodioxol-4-ol; Paroxetine Impurity 16 |
IUPAC Name: | 1,3-benzodioxol-4-ol |
Description: | An impurity of Paroxetine which is a selective serotonin reuptake inhibitor. |
Molecular Weight: | 138.12 |
Molecular Formula: | C7H6O3 |
Canonical SMILES: | C1OC2=CC=CC(=C2O1)O |
InChI: | InChI=1S/C7H6O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,8H,4H2 |
InChI Key: | XRSKRSVTUVLURN-UHFFFAOYSA-N |
LogP: | 1.12090 |
Publication Number | Title | Priority Date |
JP-2021059503-A | Benzotriazole-based compounds, UV absorbers containing the benzotriazole-based compounds, curable compositions for optical materials | 20191004 |
WO-2021005501-A1 | Naltrexone formulation | 20190710 |
WO-2019153080-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
EP-3749672-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
US-2020331921-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
PMID | Publication Date | Title | Journal |
22355094 | 20120501 | Modified methylenedioxyphenol analogs lower LDL cholesterol through induction of LDL receptor expression | Journal of lipid research |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.031694049 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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