Home Other Building Blocks 6-oxa-2-azaspiro[3.4]octane, trifluoroacetic acid

6-oxa-2-azaspiro[3.4]octane, trifluoroacetic acid

CAS No.:
1820712-05-7
Catalog Number:
AG01AMXO
Molecular Formula:
C8H12F3NO3
Molecular Weight:
227.1810
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Product Description
Catalog Number:
AG01AMXO
Chemical Name:
6-oxa-2-azaspiro[3.4]octane, trifluoroacetic acid
CAS Number:
1820712-05-7
Molecular Formula:
C8H12F3NO3
Molecular Weight:
227.1810
MDL Number:
MFCD29034063
IUPAC Name:
6-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H11NO.C2HF3O2/c1-2-8-5-6(1)3-7-4-6;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7)
InChI Key:
ZIYJFDCXZXHAHV-UHFFFAOYSA-N
SMILES:
C1OCC2(C1)CNC2.OC(=O)C(F)(F)F
Properties
Complexity:
182  
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:
0
Undefined Bond Stereocenter Count:
0
Properties