Methyl 4-Methyl-3-(methylsulfonyl)benzoate - CAS 906816-32-8
Catalog: |
BB039928 |
Product Name: |
Methyl 4-Methyl-3-(methylsulfonyl)benzoate |
CAS: |
906816-32-8 |
Synonyms: |
4-methyl-3-methylsulfonylbenzoic acid methyl ester; methyl 4-methyl-3-methylsulfonylbenzoate |
IUPAC Name: | methyl 4-methyl-3-methylsulfonylbenzoate |
Description: | Methyl 4-Methyl-3-(methylsulfonyl)benzoate (CAS# 906816-32-8) is a useful research chemical. |
Molecular Weight: | 228.26 |
Molecular Formula: | C10H12O4S |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)C |
InChI: | InChI=1S/C10H12O4S/c1-7-4-5-8(10(11)14-2)6-9(7)15(3,12)13/h4-6H,1-3H3 |
InChI Key: | ZOCOSIKOTCUEIF-UHFFFAOYSA-N |
LogP: | 2.26590 |
Publication Number | Title | Priority Date |
WO-2019152437-A1 | Compounds and uses thereof | 20180130 |
EP-3746124-A1 | Compounds and uses thereof | 20180130 |
CN-112153984-A | Compound and use thereof | 20180130 |
US-2021038611-A1 | Compounds and uses thereof | 20180130 |
JP-2021512166-A | Compounds and their use | 20180130 |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.04563003 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.04563003 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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