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1392804-83-9 | 1-Oxa-6-azaspiro[3.4]octane, 2,2,2-trifluoroacetate (1:1)
CAS No: 1392804-83-9 Catalog No: AG001AO3 MDL No:
Product Description
Catalog Number:
AG001AO3
Chemical Name:
1-Oxa-6-azaspiro[3.4]octane, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1392804-83-9
Molecular Formula:
C8H12F3NO3
Molecular Weight:
227.1810
IUPAC Name:
1-oxa-7-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H11NO.C2HF3O2/c1-3-7-5-6(1)2-4-8-6;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7)
InChI Key:
JQHIQHPMJARUCS-UHFFFAOYSA-N
SMILES:
N1CCC2(C1)CCO2.OC(=O)C(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.183g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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