Home Sulfos 1-ethynyl-3-methanesulfonylbenzene

1-ethynyl-3-methanesulfonylbenzene

CAS No.:
573982-84-0
Catalog Number:
AG01BXKN
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
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Product Description
Catalog Number:
AG01BXKN
Chemical Name:
1-ethynyl-3-methanesulfonylbenzene
CAS Number:
573982-84-0
Molecular Formula:
C9H8O2S
Molecular Weight:
180.2236
MDL Number:
MFCD13189809
IUPAC Name:
1-ethynyl-3-methylsulfonylbenzene
InChI:
InChI=1S/C9H8O2S/c1-3-8-5-4-6-9(7-8)12(2,10)11/h1,4-7H,2H3
InChI Key:
SEEUKVKQSSSVLL-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)S(=O)(=O)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.221g/mol
Monoisotopic Mass:
180.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties