Home Other Building Blocks 2-(azetidin-3-yloxy)acetic acid, trifluoroacetic acid

2-(azetidin-3-yloxy)acetic acid, trifluoroacetic acid

CAS No.:
1909327-16-7
Catalog Number:
AG01C6H4
Molecular Formula:
C7H10F3NO5
Molecular Weight:
245.1532
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Product Description
Catalog Number:
AG01C6H4
Chemical Name:
2-(azetidin-3-yloxy)acetic acid, trifluoroacetic acid
CAS Number:
1909327-16-7
Molecular Formula:
C7H10F3NO5
Molecular Weight:
245.1532
MDL Number:
MFCD29907119
IUPAC Name:
2-(azetidin-3-yloxy)acetic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H9NO3.C2HF3O2/c7-5(8)3-9-4-1-6-2-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7)
InChI Key:
PFSNILWXVUUAJA-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)COC1CNC1
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.154g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties