Home Sulfos 1-(3-aminoazetidin-1-yl)prop-2-en-1-one, trifluoromethanesulfonic acid

1-(3-aminoazetidin-1-yl)prop-2-en-1-one, trifluoromethanesulfonic acid

CAS No.:
2060047-56-3
Catalog Number:
AG01C059
Molecular Formula:
C7H11F3N2O4S
Molecular Weight:
276.2334
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Product Description
Catalog Number:
AG01C059
Chemical Name:
1-(3-aminoazetidin-1-yl)prop-2-en-1-one, trifluoromethanesulfonic acid
CAS Number:
2060047-56-3
Molecular Formula:
C7H11F3N2O4S
Molecular Weight:
276.2334
MDL Number:
MFCD30497827
IUPAC Name:
1-(3-aminoazetidin-1-yl)prop-2-en-1-one;trifluoromethanesulfonic acid
InChI:
InChI=1S/C6H10N2O.CHF3O3S/c1-2-6(9)8-3-5(7)4-8;2-1(3,4)8(5,6)7/h2,5H,1,3-4,7H2;(H,5,6,7)
InChI Key:
YCKICQZGOGLJQW-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)O)(F)F.C=CC(=O)N1CC(C1)N
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.039g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.23g/mol
Monoisotopic Mass:
276.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties