2-(6-Hydroxybenzofuran-3-yl)acetic Acid - CAS 69716-04-7
Catalog: |
BB033940 |
Product Name: |
2-(6-Hydroxybenzofuran-3-yl)acetic Acid |
CAS: |
69716-04-7 |
Synonyms: |
2-(6-hydroxy-3-benzofuranyl)acetic acid; 2-(6-hydroxy-1-benzofuran-3-yl)acetic acid |
IUPAC Name: | 2-(6-hydroxy-1-benzofuran-3-yl)acetic acid |
Description: | 2-(6-Hydroxybenzofuran-3-yl)acetic Acid (CAS# 69716-04-7) is a reactant in the synthesis of dihydrobenzofuran (6-{[4'-(2-ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid as a potent and orally available GPR40/FFA1 agonist. |
Molecular Weight: | 192.17 |
Molecular Formula: | C10H8O4 |
Canonical SMILES: | C1=CC2=C(C=C1O)OC=C2CC(=O)O |
InChI: | InChI=1S/C10H8O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,11H,3H2,(H,12,13) |
InChI Key: | ZEMXZWJZCWCPBM-UHFFFAOYSA-N |
Boiling Point: | 251.5 °C at 760 mmHg |
Density: | 1.453 g/cm3 |
LogP: | 1.76550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020095258-A1 | Functionalized heterocycles as antiviral agents | 20180921 |
WO-2020061435-A1 | Functionalized heterocycles as antiviral agents | 20180921 |
TW-202024093-A | Functionalized heterocycles as antiviral agents | 20180921 |
US-10865211-B2 | Functionalized heterocycles as antiviral agents | 20180921 |
US-2021115060-A1 | Functionalized heterocycles as antiviral agents | 20180921 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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