Home Sulfos 4-(butane-1-sulfonyl)benzoic acid

4-(butane-1-sulfonyl)benzoic acid

CAS No.:
100059-51-6
Catalog Number:
AG01BEG6
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
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Product Description
Catalog Number:
AG01BEG6
Chemical Name:
4-(butane-1-sulfonyl)benzoic acid
CAS Number:
100059-51-6
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD09935862
IUPAC Name:
4-butylsulfonylbenzoic acid
InChI:
InChI=1S/C11H14O4S/c1-2-3-8-16(14,15)10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChI Key:
ZBKOZGCANJUKEY-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties