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89552-59-0 | Propanoic acid, 3-[(4-ethenylphenyl)sulfonyl]-
CAS No: 89552-59-0 Catalog No: AG003YD4 MDL No:
Product Description
Catalog Number:
AG003YD4
Chemical Name:
Propanoic acid, 3-[(4-ethenylphenyl)sulfonyl]-
CAS Number:
89552-59-0
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
IUPAC Name:
3-(4-ethenylphenyl)sulfonylpropanoic acid
InChI:
InChI=1S/C11H12O4S/c1-2-9-3-5-10(6-4-9)16(14,15)8-7-11(12)13/h2-6H,1,7-8H2,(H,12,13)
InChI Key:
XBCDXSISVJKRHL-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)S(=O)(=O)CCC(=O)O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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