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2917-96-6 | 2-Butyne-1,4-diol, 1,4-dimethanesulfonate
CAS No: 2917-96-6 Catalog No: AG002XK0 MDL No:
Product Description
Catalog Number:
AG002XK0
Chemical Name:
2-Butyne-1,4-diol, 1,4-dimethanesulfonate
CAS Number:
2917-96-6
Molecular Formula:
C6H10O6S2
Molecular Weight:
242.2700
IUPAC Name:
4-methylsulfonyloxybut-2-ynyl methanesulfonate
InChI:
InChI=1S/C6H10O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h5-6H2,1-2H3
InChI Key:
UGPGBZBAORCFNA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCC#CCOS(=O)(=O)C
NSC Number:
75141
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.26g/mol
Monoisotopic Mass:
241.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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