4,6-Dihydroxybenzofuran-3(2H)-one - CAS 3260-49-9
Catalog: |
BB021341 |
Product Name: |
4,6-Dihydroxybenzofuran-3(2H)-one |
CAS: |
3260-49-9 |
Synonyms: |
4,6-dihydroxy-3-benzofuranone; 4,6-dihydroxy-1-benzofuran-3-one |
IUPAC Name: | 4,6-dihydroxy-1-benzofuran-3-one |
Description: | 4,6-Dihydroxybenzofuran-3(2H)-one (CAS# 3260-49-9) is an intermediate in synthesizing Diosmetin 3',7-Diglucuronide-d3 (D485042), a labelled Diosmetin 3',7-Diglucuronide (D485040), which is a metabolite of Diosmetin (D485000) which is a flavonoid often administered in the treatment of chronic venous insufficiency, hemorrhoids, and related affections. |
Molecular Weight: | 166.13 |
Molecular Formula: | C8H6O4 |
Canonical SMILES: | C1C(=O)C2=C(C=C(C=C2O1)O)O |
InChI: | InChI=1S/C8H6O4/c9-4-1-5(10)8-6(11)3-12-7(8)2-4/h1-2,9-10H,3H2 |
InChI Key: | OPSLRXQDYBYKHC-UHFFFAOYSA-N |
Boiling Point: | 429.4 °C at 760 mmHg |
Density: | 1.614 g/cm3 |
LogP: | 0.67290 |
Publication Number | Title | Priority Date |
CN-112250689-A | Compounds having therapeutic effect on liver diseases | 20191107 |
WO-2021088999-A1 | Compound having therapeutic efficacy for liver disease | 20191107 |
WO-2019147894-A1 | Compositions and methods for inhibiting group ii intron rna | 20180126 |
US-2021139512-A1 | Compositions and methods for inhibiting group ii intron rna | 20180126 |
CN-103360352-A | Total synthesis method for 4-methoxy-2,6-dihydroxy-2-benzyl-3(2H)-benzofuranone | 20130805 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02660867 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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