Methyl 2-Methyl-4-(methylsulfonyl)benzoate - CAS 875895-64-0
Catalog: |
BB038535 |
Product Name: |
Methyl 2-Methyl-4-(methylsulfonyl)benzoate |
CAS: |
875895-64-0 |
Synonyms: |
2-methyl-4-methylsulfonylbenzoic acid methyl ester; methyl 2-methyl-4-methylsulfonylbenzoate |
IUPAC Name: | methyl 2-methyl-4-methylsulfonylbenzoate |
Description: | Methyl 2-Methyl-4-(methylsulfonyl)benzoate (CAS# 875895-64-0) is a useful research chemical. |
Molecular Weight: | 228.26 |
Molecular Formula: | C10H12O4S |
Canonical SMILES: | CC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)OC |
InChI: | InChI=1S/C10H12O4S/c1-7-6-8(15(3,12)13)4-5-9(7)10(11)14-2/h4-6H,1-3H3 |
InChI Key: | YVLHCANJHJUCJK-UHFFFAOYSA-N |
LogP: | 2.26590 |
Publication Number | Title | Priority Date |
CN-211739924-U | Multi-stage condenser for condensing sulfur dioxide in production of 2-methoxycarbonyl-5-methylsulfonyl methyl benzene sulfonamide intermediate | 20191230 |
CN-109678767-A | A kind of synthesis technology of herbicide tembotrions | 20181227 |
WO-2011085261-A1 | Hedgehog inhibitors | 20100108 |
WO-2011014888-A1 | Novel hedgehog inhibitors | 20090731 |
EP-1404330-A1 | Substituted 8-arylquinoline pde4 inhibitors | 20010627 |
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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