(3-Methyl-3-oxetanyl)methyl 4-Methylbenzenesulfonate - CAS 99314-44-0
Catalog: |
BB042276 |
Product Name: |
(3-Methyl-3-oxetanyl)methyl 4-Methylbenzenesulfonate |
CAS: |
99314-44-0 |
Synonyms: |
4-methylbenzenesulfonic acid (3-methyl-3-oxetanyl)methyl ester; (3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate |
IUPAC Name: | (3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate |
Description: | (3-Methyl-3-oxetanyl)methyl 4-Methylbenzenesulfonate (CAS# 99314-44-0) is a useful research chemical. |
Molecular Weight: | 256.32 |
Molecular Formula: | C12H16O4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC2)C |
InChI: | InChI=1S/C12H16O4S/c1-10-3-5-11(6-4-10)17(13,14)16-9-12(2)7-15-8-12/h3-6H,7-9H2,1-2H3 |
InChI Key: | PZOQQSOZRVZCMC-UHFFFAOYSA-N |
Boiling Point: | 381.12 °C at 760 mmHg |
Density: | 1.219 g/cm3 |
MDL: | MFCD08275394 |
LogP: | 2.81760 |
Publication Number | Title | Priority Date |
WO-2021127499-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20191218 |
WO-2019246513-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
TW-202016082-A | Protein tyrosine phosphatase inhibitor and method of use | 20180621 |
AU-2019290197-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
CA-3104507-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20180621 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.07693016 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.07693016 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 61 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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