Home Other Building Blocks 2-(azetidin-3-yl)propanoic acid, trifluoroacetic acid

2-(azetidin-3-yl)propanoic acid, trifluoroacetic acid

CAS No.:
1797923-92-2
Catalog Number:
AG01AFRL
Molecular Formula:
C8H12F3NO4
Molecular Weight:
243.1804
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Product Description
Catalog Number:
AG01AFRL
Chemical Name:
2-(azetidin-3-yl)propanoic acid, trifluoroacetic acid
CAS Number:
1797923-92-2
Molecular Formula:
C8H12F3NO4
Molecular Weight:
243.1804
MDL Number:
MFCD27500978
IUPAC Name:
2-(azetidin-3-yl)propanoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H11NO2.C2HF3O2/c1-4(6(8)9)5-2-7-3-5;3-2(4,5)1(6)7/h4-5,7H,2-3H2,1H3,(H,8,9);(H,6,7)
InChI Key:
SCMKIRSEQAWRIB-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CC(C(=O)O)C1CNC1
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
243.182g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties