Home Sulfos 2-methanesulfonyl-3-phenylpropanoic acid

2-methanesulfonyl-3-phenylpropanoic acid

CAS No.:
147933-33-3
Catalog Number:
AG01AKW5
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
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Product Description
Catalog Number:
AG01AKW5
Chemical Name:
2-methanesulfonyl-3-phenylpropanoic acid
CAS Number:
147933-33-3
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD12152793
IUPAC Name:
2-methylsulfonyl-3-phenylpropanoic acid
InChI:
InChI=1S/C10H12O4S/c1-15(13,14)9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChI Key:
JGGPWKJQGSGQNT-UHFFFAOYSA-N
SMILES:
OC(=O)C(S(=O)(=O)C)Cc1ccccc1
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:
1.2  
Properties