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26272-83-3 | 3-Oxetanol, 3-(4-methylbenzenesulfonate)
CAS No: 26272-83-3 Catalog No: AG002SK1 MDL No:MFCD08544401
Product Description
Catalog Number:
AG002SK1
Chemical Name:
3-Oxetanol, 3-(4-methylbenzenesulfonate)
CAS Number:
26272-83-3
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD08544401
IUPAC Name:
oxetan-3-yl 4-methylbenzenesulfonate
InChI:
InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
InChI Key:
UMFWNFVHKAJOSE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC1COC1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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