Home Sulfos 2-(3-phenylpropanesulfonyl)acetic acid

2-(3-phenylpropanesulfonyl)acetic acid

CAS No.:
1016870-51-1
Catalog Number:
AG019NBP
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
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Product Description
Catalog Number:
AG019NBP
Chemical Name:
2-(3-phenylpropanesulfonyl)acetic acid
CAS Number:
1016870-51-1
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD09950402
IUPAC Name:
2-(3-phenylpropylsulfonyl)acetic acid
InChI:
InChI=1S/C11H14O4S/c12-11(13)9-16(14,15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,13)
InChI Key:
YLNFNPCLXMTRDH-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)CCCc1ccccc1
Properties
Complexity:
309  
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:
6  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties