Methyl 6-Hydroxybenzo[b]thiophene-3-carboxylate - CAS 1093631-84-5
Catalog: |
BB002442 |
Product Name: |
Methyl 6-Hydroxybenzo[b]thiophene-3-carboxylate |
CAS: |
1093631-84-5 |
Synonyms: |
6-hydroxy-1-benzothiophene-3-carboxylic acid methyl ester; methyl 6-hydroxy-1-benzothiophene-3-carboxylate |
IUPAC Name: | methyl 6-hydroxy-1-benzothiophene-3-carboxylate |
Description: | Methyl 6-Hydroxybenzo[b]thiophene-3-carboxylate (CAS# 1093631-84-5 ) is a useful research chemical. |
Molecular Weight: | 208.23 |
Molecular Formula: | C10H8O3S |
Canonical SMILES: | COC(=O)C1=CSC2=C1C=CC(=C2)O |
InChI: | InChI=1S/C10H8O3S/c1-13-10(12)8-5-14-9-4-6(11)2-3-7(8)9/h2-5,11H,1H3 |
InChI Key: | WFOIBEWWFZPKFJ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2008266154-A1 | Farnesoid X receptor agonists | 20070613 |
CA-2689980-A1 | Farnesoid x receptor agonists | 20070613 |
EP-2170072-A1 | Farnesoid x receptor agonists | 20070613 |
JP-2010529996-A | Farnesoid X receptor agonist | 20070613 |
KR-20100038102-A | Panesoid X receptor agonists | 20070613 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.01941529 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.01941529 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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