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1219828-27-9 | 3-Azetidinecarboxylic acid, 1-(methylsulfonyl)-
CAS No: 1219828-27-9 Catalog No: AG0016HP MDL No:MFCD16653314
Product Description
Catalog Number:
AG0016HP
Chemical Name:
3-Azetidinecarboxylic acid, 1-(methylsulfonyl)-
CAS Number:
1219828-27-9
Molecular Formula:
C5H9NO4S
Molecular Weight:
179.1943
MDL Number:
MFCD16653314
IUPAC Name:
1-methylsulfonylazetidine-3-carboxylic acid
InChI:
InChI=1S/C5H9NO4S/c1-11(9,10)6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
HBOQFIHAKZBLJA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)S(=O)(=O)C
Properties
Complexity:
259
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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