2-Methyl-4-(methylsulfonyl)benzoic Acid - CAS 118939-09-6
Catalog: |
BB004347 |
Product Name: |
2-Methyl-4-(methylsulfonyl)benzoic Acid |
CAS: |
118939-09-6 |
Synonyms: |
2-methyl-4-methylsulfonylbenzoic acid; 2-methyl-4-methylsulfonylbenzoic acid |
IUPAC Name: | 2-methyl-4-methylsulfonylbenzoic acid |
Description: | 2-Methyl-4-(methylsulfonyl)benzoic Acid (CAS# 118939-09-6) is a useful research chemical. |
Molecular Weight: | 214.24 |
Molecular Formula: | C9H10O4S |
Canonical SMILES: | CC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)O |
InChI: | InChI=1S/C9H10O4S/c1-6-5-7(14(2,12)13)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11) |
InChI Key: | WEKZLBGODVDBBZ-UHFFFAOYSA-N |
LogP: | 2.17750 |
Publication Number | Title | Priority Date |
WO-2020227097-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
EP-2686325-A1 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 20110314 |
EP-2686325-B1 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 20110314 |
US-2012264749-A1 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 20110314 |
US-2015025073-A1 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 20110314 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.02997997 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.02997997 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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