Ethyl 4-Hydroxy-1-benzothiophene-6-carboxylate - CAS 831222-68-5
Catalog: |
BB036971 |
Product Name: |
Ethyl 4-Hydroxy-1-benzothiophene-6-carboxylate |
CAS: |
831222-68-5 |
Synonyms: |
4-hydroxy-1-benzothiophene-6-carboxylic acid ethyl ester; ethyl 4-hydroxy-1-benzothiophene-6-carboxylate |
IUPAC Name: | ethyl 4-hydroxy-1-benzothiophene-6-carboxylate |
Description: | Ethyl 4-Hydroxy-1-benzothiophene-6-carboxylate (CAS# 831222-68-5) is a useful research chemical. |
Molecular Weight: | 222.26 |
Molecular Formula: | C11H10O3S |
Canonical SMILES: | CCOC(=O)C1=CC(=C2C=CSC2=C1)O |
InChI: | InChI=1S/C11H10O3S/c1-2-14-11(13)7-5-9(12)8-3-4-15-10(8)6-7/h3-6,12H,2H2,1H3 |
InChI Key: | IRKXYMTWJQZIPG-UHFFFAOYSA-N |
LogP: | 2.78360 |
Publication Number | Title | Priority Date |
JP-2014198693-A | Preventive and / or therapeutic agent for immune disease | 20130329 |
EP-2762476-A1 | 1,2,4-triazine-6-carboxamide derivative | 20110930 |
JP-5878178-B2 | 1,2,4-triazine-6-carboxamide derivatives | 20110930 |
JP-WO2013047813-A1 | 1,2,4-triazine-6-carboxamide derivatives | 20110930 |
US-2014343038-A1 | 1,2,4-triazine-6-carboxamide derivative | 20110930 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.03506535 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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