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2055839-78-4 | Ethanone, 1-(2,6-diazaspiro[3.3]hept-2-yl)-, 2,2,2-trifluoroacetate (1:1)
CAS No: 2055839-78-4 Catalog No: AG002A67 MDL No:
Product Description
Catalog Number:
AG002A67
Chemical Name:
Ethanone, 1-(2,6-diazaspiro[3.3]hept-2-yl)-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
2055839-78-4
Molecular Formula:
C9H13F3N2O3
Molecular Weight:
254.2063
IUPAC Name:
1-(2,6-diazaspiro[3.3]heptan-2-yl)ethanone;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H12N2O.C2HF3O2/c1-6(10)9-4-7(5-9)2-8-3-7;3-2(4,5)1(6)7/h8H,2-5H2,1H3;(H,6,7)
InChI Key:
YLTWNBGBNUDFJH-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CC(=O)N1CC2(C1)CNC2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.209g/mol
Monoisotopic Mass:
254.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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