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115845-51-7 | 2-Oxetanemethanol, 2-(4-methylbenzenesulfonate)
CAS No: 115845-51-7 Catalog No: AG000GY6 MDL No:MFCD08544404
Product Description
Catalog Number:
AG000GY6
Chemical Name:
2-Oxetanemethanol, 2-(4-methylbenzenesulfonate)
CAS Number:
115845-51-7
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD08544404
IUPAC Name:
oxetan-2-ylmethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-8-10-6-7-14-10/h2-5,10H,6-8H2,1H3
InChI Key:
UYSILSHSVRRBST-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1CCO1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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