Home Other Building Blocks 1-oxa-3,8-diazaspiro[4.5]decan-2-one, trifluoroacetic acid

1-oxa-3,8-diazaspiro[4.5]decan-2-one, trifluoroacetic acid

CAS No.:
2138098-58-3
Catalog Number:
AG01EJ2P
Molecular Formula:
C9H13F3N2O4
Molecular Weight:
270.2057
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Product Description
Catalog Number:
AG01EJ2P
Chemical Name:
1-oxa-3,8-diazaspiro[4.5]decan-2-one, trifluoroacetic acid
CAS Number:
2138098-58-3
Molecular Formula:
C9H13F3N2O4
Molecular Weight:
270.2057
MDL Number:
MFCD31433990
IUPAC Name:
1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H12N2O2.C2HF3O2/c10-6-9-5-7(11-6)1-3-8-4-2-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7)
InChI Key:
NTEACTKHRRMMDT-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.O=C1NCC2(O1)CCNCC2
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.083g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
270.208g/mol
Monoisotopic Mass:
270.083g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties