Home Sulfos 3-[(3-methylphenyl)methanesulfonyl]propanoic acid

3-[(3-methylphenyl)methanesulfonyl]propanoic acid

CAS No.:
1016701-55-5
Catalog Number:
AG01C2L5
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
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Product Description
Catalog Number:
AG01C2L5
Chemical Name:
3-[(3-methylphenyl)methanesulfonyl]propanoic acid
CAS Number:
1016701-55-5
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD09931595
IUPAC Name:
3-[(3-methylphenyl)methylsulfonyl]propanoic acid
InChI:
InChI=1S/C11H14O4S/c1-9-3-2-4-10(7-9)8-16(14,15)6-5-11(12)13/h2-4,7H,5-6,8H2,1H3,(H,12,13)
InChI Key:
MCIAXWRVBGSKAF-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)Cc1cccc(c1)C
Properties
Complexity:
328  
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  
Properties