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89211-36-9 | ETHYL CARBOXYETHYLSULFONE
CAS No: 89211-36-9 Catalog No: AG0043TP MDL No:MFCD08274908
Product Description
Catalog Number:
AG0043TP
Chemical Name:
ETHYL CARBOXYETHYLSULFONE
CAS Number:
89211-36-9
Molecular Formula:
C5H10O4S
Molecular Weight:
166.1955
MDL Number:
MFCD08274908
IUPAC Name:
3-ethylsulfonylpropanoic acid
InChI:
InChI=1S/C5H10O4S/c1-2-10(8,9)4-3-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key:
JAHSNQRETVXCRC-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)CCC(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.191g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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