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1242339-85-0 | 2,8-Diazaspiro[4.5]decan-3-one trifluoroacetate
CAS No: 1242339-85-0 Catalog No: AG01F9RP MDL No:
Product Description
Catalog Number:
AG01F9RP
Chemical Name:
2,8-Diazaspiro[4.5]decan-3-one trifluoroacetate
CAS Number:
1242339-85-0
Molecular Formula:
C10H15F3N2O3
Molecular Weight:
268.2329
IUPAC Name:
2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H14N2O.C2HF3O2/c11-7-5-8(6-10-7)1-3-9-4-2-8;3-2(4,5)1(6)7/h9H,1-6H2,(H,10,11);(H,6,7)
InChI Key:
NDPYETUFMCGYFI-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.O=C1NCC2(C1)CCNCC2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.236g/mol
Monoisotopic Mass:
268.103g/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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