3-Oxetanol, 4-methylbenzenesulfonate


Chemical Name: 3-Oxetanol, 4-methylbenzenesulfonate
CAS Number: 26272-83-3
Product Number: AG002SK1(AGN-PC-0O8EBW)
Synonyms:
MDL No:
Molecular Formula: C10H12O4S
Molecular Weight: 228.2649

Identification/Properties


Properties
MP:
81.0 to 86.0 °C
BP:
371.6±35.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
228.262g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
228.046g/mol
Monoisotopic Mass:
228.046g/mol
Topological Polar Surface Area:
61A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
294
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:
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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