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Home > Other Heterocycles > 126505-39-3
126505-39-3 | 3-Oxa-1,7,8-triazaspiro[4.4]nonane (9CI)
CAS No: 126505-39-3 Catalog No: AG000SUF MDL No:
Product Description
Catalog Number:
AG000SUF
Chemical Name:
3-Oxa-1,7,8-triazaspiro[4.4]nonane (9CI)
CAS Number:
126505-39-3
Molecular Formula:
C5H11N3O
Molecular Weight:
129.1603
IUPAC Name:
3-oxa-1,7,8-triazaspiro[4.4]nonane
InChI:
InChI=1S/C5H11N3O/c1-5(2-8-7-1)3-9-4-6-5/h6-8H,1-4H2
InChI Key:
JADDTXBPBKLCOS-UHFFFAOYSA-N
SMILES:
C1OCC2(N1)CNNC2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.09g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
129.163g/mol
Monoisotopic Mass:
129.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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