Home Other Building Blocks 2-(3-ethylazetidin-1-yl)acetic acid, trifluoroacetic acid

2-(3-ethylazetidin-1-yl)acetic acid, trifluoroacetic acid

CAS No.:
2031260-96-3
Catalog Number:
AG01B7C3
Molecular Formula:
C9H14F3NO4
Molecular Weight:
257.2070
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Product Description
Catalog Number:
AG01B7C3
Chemical Name:
2-(3-ethylazetidin-1-yl)acetic acid, trifluoroacetic acid
CAS Number:
2031260-96-3
Molecular Formula:
C9H14F3NO4
Molecular Weight:
257.2070
MDL Number:
MFCD30345246
IUPAC Name:
2-(3-ethylazetidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H13NO2.C2HF3O2/c1-2-6-3-8(4-6)5-7(9)10;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,9,10);(H,6,7)
InChI Key:
YBJIMPIYVVQHKK-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CCC1CN(C1)CC(=O)O
Properties
Complexity:
213  
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:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties