Home Sulfos 1-methanesulfonylazetidine-2-carboxylic acid

1-methanesulfonylazetidine-2-carboxylic acid

CAS No.:
1779436-10-0
Catalog Number:
AG01C4AR
Molecular Formula:
C5H9NO4S
Molecular Weight:
179.1943
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Product Description
Catalog Number:
AG01C4AR
Chemical Name:
1-methanesulfonylazetidine-2-carboxylic acid
CAS Number:
1779436-10-0
Molecular Formula:
C5H9NO4S
Molecular Weight:
179.1943
MDL Number:
MFCD29763076
IUPAC Name:
1-methylsulfonylazetidine-2-carboxylic acid
InChI:
InChI=1S/C5H9NO4S/c1-11(9,10)6-3-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
HCJBRRQJOBSBBR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN1S(=O)(=O)C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.19g/mol
Monoisotopic Mass:
179.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties