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2170723-99-4 | ethyl 2-(azetidin-3-yl)acetate trifluoroacetic acid
CAS No: 2170723-99-4 Catalog No: AG01FKE4 MDL No:
Product Description
Catalog Number:
AG01FKE4
Chemical Name:
ethyl 2-(azetidin-3-yl)acetate trifluoroacetic acid
CAS Number:
2170723-99-4
Molecular Formula:
C9H14F3NO4
Molecular Weight:
257.2070
IUPAC Name:
ethyl 2-(azetidin-3-yl)acetate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H13NO2.C2HF3O2/c1-2-10-7(9)3-6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)
InChI Key:
WTMACOIRPSMTBL-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CCOC(=O)CC1CNC1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.209g/mol
Monoisotopic Mass:
257.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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