Home Sulfos 3-methanesulfonyl-2-phenylpropanoic acid

3-methanesulfonyl-2-phenylpropanoic acid

CAS No.:
1341947-50-9
Catalog Number:
AG01ALHP
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
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Product Description
Catalog Number:
AG01ALHP
Chemical Name:
3-methanesulfonyl-2-phenylpropanoic acid
CAS Number:
1341947-50-9
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD20354212
IUPAC Name:
3-methylsulfonyl-2-phenylpropanoic acid
InChI:
InChI=1S/C10H12O4S/c1-15(13,14)7-9(10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChI Key:
ZPOARKMBLJODMU-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)CS(=O)(=O)C
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties