Home Sulfos But-2-yn-1-yl 4-methylbenzenesulfonate

But-2-yn-1-yl 4-methylbenzenesulfonate

CAS No.:
56563-37-2
Catalog Number:
AG003OL1
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
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Product Description
Catalog Number:
AG003OL1
Chemical Name:
But-2-yn-1-yl 4-methylbenzenesulfonate
CAS Number:
56563-37-2
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
MDL Number:
MFCD00078395
IUPAC Name:
but-2-ynyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3
InChI Key:
HGZKJNHJABSJTC-UHFFFAOYSA-N
SMILES:
CC#CCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties