Methyl 4-Methoxy-3-(methylsulfonyl)benzoate - CAS 166811-66-1
Catalog: |
BB012315 |
Product Name: |
Methyl 4-Methoxy-3-(methylsulfonyl)benzoate |
CAS: |
166811-66-1 |
Synonyms: |
4-methoxy-3-methylsulfonylbenzoic acid methyl ester; methyl 4-methoxy-3-methylsulfonylbenzoate |
IUPAC Name: | methyl 4-methoxy-3-methylsulfonylbenzoate |
Description: | Methyl 4-Methoxy-3-(methylsulfonyl)benzoate (CAS# 166811-66-1 ) is a useful research chemical. |
Molecular Weight: | 244.26 |
Molecular Formula: | C10H12O5S |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)C |
InChI: | InChI=1S/C10H12O5S/c1-14-8-5-4-7(10(11)15-2)6-9(8)16(3,12)13/h4-6H,1-3H3 |
InChI Key: | BEPRGQACKBJTAW-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-1083688-C | New herbicides | 19930518 |
CN-1104030-A | New herbicides | 19930518 |
EP-0625508-A2 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | 19930518 |
EP-0625508-A3 | Sulfur-containing 2-cyan-1,3-dione derivatives and their use as herbicides. | 19930518 |
EP-0625508-B1 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | 19930518 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.04054465 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.04054465 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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