1-ethylsulfonylazetidine-3-carboxylic acid


Chemical Name: 1-ethylsulfonylazetidine-3-carboxylic acid
CAS Number: 1219828-33-7
Product Number: AG0016HO(AGN-PC-085FBJ)
Synonyms:
MDL No:
Molecular Formula: C6H11NO4S
Molecular Weight: 193.2208

Identification/Properties


Computed Properties
Molecular Weight:
193.217g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
193.041g/mol
Monoisotopic Mass:
193.041g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
272
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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