Home Sulfos 4-methanesulfonyl-2-phenylbutanoic acid

4-methanesulfonyl-2-phenylbutanoic acid

CAS No.:
1484901-75-8
Catalog Number:
AG01BFX9
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
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Product Description
Catalog Number:
AG01BFX9
Chemical Name:
4-methanesulfonyl-2-phenylbutanoic acid
CAS Number:
1484901-75-8
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD21235598
IUPAC Name:
4-methylsulfonyl-2-phenylbutanoic acid
InChI:
InChI=1S/C11H14O4S/c1-16(14,15)8-7-10(11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,12,13)
InChI Key:
RHLXNSFBBLTCTN-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)CCS(=O)(=O)C
Properties
Complexity:
322  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties