2-methyl-1-benzothiophene-6-carboxylic acid - CAS 18781-41-4
Catalog: |
BB014449 |
Product Name: |
2-methyl-1-benzothiophene-6-carboxylic acid |
CAS: |
18781-41-4 |
Synonyms: |
2-methyl-1-benzothiophene-6-carboxylic acid; 2-methyl-1-benzothiophene-6-carboxylic acid |
IUPAC Name: | 2-methyl-1-benzothiophene-6-carboxylic acid |
Description: | 2-methyl-1-benzothiophene-6-carboxylic acid (CAS# 18781-41-4 ) is a useful research chemical. |
Molecular Weight: | 192.232 |
Molecular Formula: | C10H8O2S |
Canonical SMILES: | CC1=CC2=C(S1)C=C(C=C2)C(=O)O |
InChI: | InChI=1S/C10H8O2S/c1-6-4-7-2-3-8(10(11)12)5-9(7)13-6/h2-5H,1H3,(H,11,12) |
InChI Key: | ALOZIPUQHCBGNE-UHFFFAOYSA-N |
LogP: | 2.90790 |
Publication Number | Title | Priority Date |
TW-201739733-A | Arylcarmine and its use | 20160502 |
WO-2017192304-A1 | Arylcarboxamides and uses thereof | 20160502 |
CA-2971413-A1 | Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors | 20141216 |
EP-3233087-B1 | Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors | 20141216 |
EP-3623371-A1 | Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors | 20141216 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.02450067 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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