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116-50-7 | 1,2-Ethanediol, 1,2-dibenzenesulfonate
CAS No: 116-50-7 Catalog No: AG000BCL MDL No:
Product Description
Catalog Number:
AG000BCL
Chemical Name:
1,2-Ethanediol, 1,2-dibenzenesulfonate
CAS Number:
116-50-7
Molecular Formula:
C14H14O6S2
Molecular Weight:
342.3874
IUPAC Name:
2-(benzenesulfonyloxy)ethyl benzenesulfonate
InChI:
InChI=1S/C14H14O6S2/c15-21(16,13-7-3-1-4-8-13)19-11-12-20-22(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
LLHMWTOYUSTYGU-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)OCCOS(=O)(=O)c1ccccc1
EC Number:
601-434-9
NSC Number:
3220
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.023g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.38g/mol
Monoisotopic Mass:
342.023g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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