Methyl 3-Hydroxybenzofuran-2-carboxylate - CAS 5117-55-5
Catalog: |
BB027357 |
Product Name: |
Methyl 3-Hydroxybenzofuran-2-carboxylate |
CAS: |
5117-55-5 |
Synonyms: |
3-hydroxy-2-benzofurancarboxylic acid methyl ester; methyl 3-hydroxy-1-benzofuran-2-carboxylate |
IUPAC Name: | methyl 3-hydroxy-1-benzofuran-2-carboxylate |
Description: | Methyl 3-Hydroxybenzofuran-2-carboxylate (CAS# 5117-55-5 ) is a useful research chemical. |
Molecular Weight: | 192.17 |
Molecular Formula: | C10H8O4 |
Canonical SMILES: | COC(=O)C1=C(C2=CC=CC=C2O1)O |
InChI: | InChI=1S/C10H8O4/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H,1H3 |
InChI Key: | HOWXDNGXHMYIIK-UHFFFAOYSA-N |
Boiling Point: | 432.2 °C at 760 mmHg |
Density: | 1.306 g/cm3 |
MDL: | MFCD14281681 |
LogP: | 1.92500 |
Publication Number | Title | Priority Date |
WO-2020118036-A1 | Antibacterial compounds and uses thereof | 20181206 |
CN-108997254-A | The synthetic method of indeno oxadiazines compound | 20180827 |
AU-2016336437-A1 | Compounds, compositions, and methods for modulating CFTR | 20151006 |
AU-2016336437-B2 | Compounds, compositions, and methods for modulating CFTR | 20151006 |
CA-3000483-A1 | Compounds, compositions, and methods for modulating cftr | 20151006 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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