3-Oxetanemethanol, 3-methyl-, 4-methylbenzenesulfonate


Chemical Name: 3-Oxetanemethanol, 3-methyl-, 4-methylbenzenesulfonate
CAS Number: 99314-44-0
Product Number: AG006O99(AGN-PC-0JCLQM)
Synonyms:
MDL No:
Molecular Formula: C12H16O4S
Molecular Weight: 256.3180

Identification/Properties


Properties
MP:
50-51 °C
BP:
381.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
256.316g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
256.077g/mol
Monoisotopic Mass:
256.077g/mol
Topological Polar Surface Area:
61A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
345
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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