Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate - CAS 314725-14-9
Catalog: |
BB020936 |
Product Name: |
Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate |
CAS: |
314725-14-9 |
Synonyms: |
4-hydroxy-1-benzothiophene-6-carboxylic acid methyl ester; methyl 4-hydroxy-1-benzothiophene-6-carboxylate |
IUPAC Name: | methyl 4-hydroxy-1-benzothiophene-6-carboxylate |
Description: | Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate (CAS# 314725-14-9) is a useful research chemical. |
Molecular Weight: | 208.23 |
Molecular Formula: | C10H8O3S |
Canonical SMILES: | COC(=O)C1=CC(=C2C=CSC2=C1)O |
InChI: | InChI=1S/C10H8O3S/c1-13-10(12)6-4-8(11)7-2-3-14-9(7)5-6/h2-5,11H,1H3 |
InChI Key: | IRAYMNSJGYCOHV-UHFFFAOYSA-N |
LogP: | 2.39350 |
Publication Number | Title | Priority Date |
CN-111296447-A | Efficient bactericide for oil field and preparation method thereof | 20200324 |
CN-111296447-B | Bactericide for oil field and preparation method thereof | 20200324 |
TW-202010742-A | Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors | 20180406 |
US-2019345135-A1 | Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors | 20180406 |
WO-2019195720-A1 | Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors | 20180406 |
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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