5,6-Dimethoxybenzofuran-2-carboxylic Acid - CAS 114842-08-9
Catalog: |
BB003440 |
Product Name: |
5,6-Dimethoxybenzofuran-2-carboxylic Acid |
CAS: |
114842-08-9 |
Synonyms: |
5,6-dimethoxy-2-benzofurancarboxylic acid; 5,6-dimethoxy-1-benzofuran-2-carboxylic acid |
IUPAC Name: | 5,6-dimethoxy-1-benzofuran-2-carboxylic acid |
Description: | 5,6-Dimethoxybenzofuran-2-carboxylic Acid (CAS# 114842-08-9 ) is a useful research chemical. |
Molecular Weight: | 222.19 |
Molecular Formula: | C11H10O5 |
Canonical SMILES: | COC1=C(C=C2C(=C1)C=C(O2)C(=O)O)OC |
InChI: | InChI=1S/C11H10O5/c1-14-8-3-6-4-10(11(12)13)16-7(6)5-9(8)15-2/h3-5H,1-2H3,(H,12,13) |
InChI Key: | AWGCBUDAZSSMQT-UHFFFAOYSA-N |
LogP: | 2.14820 |
Publication Number | Title | Priority Date |
US-2015133498-A1 | Benzofuran compounds, compositions, kits and/or methods thereof | 20130731 |
US-2017182023-A1 | Benzofuran compounds, compositions, kits and/or methods thereof | 20130731 |
US-9532983-B2 | Benzofuran compounds, compositions, kits and/or methods thereof | 20130731 |
US-2003114437-A1 | Protease inhibitors | 20021017 |
EP-1320370-A1 | Method of treatment | 20000901 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.05282342 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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