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2230799-89-8 | 5-hydroxy-3,9-diazaspiro[5.5]undecan-2-one trifluoroacetic acid
CAS No: 2230799-89-8 Catalog No: AG01FJOC MDL No:
Product Description
Catalog Number:
AG01FJOC
Chemical Name:
5-hydroxy-3,9-diazaspiro[5.5]undecan-2-one trifluoroacetic acid
CAS Number:
2230799-89-8
Molecular Formula:
C11H17F3N2O4
Molecular Weight:
298.2589
IUPAC Name:
5-hydroxy-3,9-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H16N2O2.C2HF3O2/c12-7-6-11-8(13)5-9(7)1-3-10-4-2-9;3-2(4,5)1(6)7/h7,10,12H,1-6H2,(H,11,13);(H,6,7)
InChI Key:
RZOPFZDRKYMYLI-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.O=C1NCC(C2(C1)CCNCC2)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
298.262g/mol
Monoisotopic Mass:
298.114g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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