Home Sulfos 3-(ethanesulfonyl)prop-2-enoic acid

3-(ethanesulfonyl)prop-2-enoic acid

CAS No.:
1704365-62-7
Catalog Number:
AG01B405
Molecular Formula:
C5H8O4S
Molecular Weight:
164.1796
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Product Description
Catalog Number:
AG01B405
Chemical Name:
3-(ethanesulfonyl)prop-2-enoic acid
CAS Number:
1704365-62-7
Molecular Formula:
C5H8O4S
Molecular Weight:
164.1796
MDL Number:
MFCD26528302
IUPAC Name:
3-ethylsulfonylprop-2-enoic acid
InChI:
InChI=1S/C5H8O4S/c1-2-10(8,9)4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)
InChI Key:
ILZDLDYFUFHBAS-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)C=CC(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.014g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.175g/mol
Monoisotopic Mass:
164.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-0.4  
Properties