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1914148-54-1 | 3,9-Diazaspiro[5.5]undecan-2-one, 2,2,2-trifluoroacetate (1:1)
CAS No: 1914148-54-1 Catalog No: AG002F87 MDL No:MFCD29477768
Product Description
Catalog Number:
AG002F87
Chemical Name:
3,9-Diazaspiro[5.5]undecan-2-one, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1914148-54-1
Molecular Formula:
C11H17F3N2O3
Molecular Weight:
282.2595
MDL Number:
MFCD29477768
IUPAC Name:
3,9-diazaspiro[5.5]undecan-4-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H16N2O.C2HF3O2/c12-8-7-9(3-6-11-8)1-4-10-5-2-9;3-2(4,5)1(6)7/h10H,1-7H2,(H,11,12);(H,6,7)
InChI Key:
UNPHVIAXUMVJHN-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.O=C1NCCC2(C1)CCNCC2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.263g/mol
Monoisotopic Mass:
282.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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