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235093-03-5 | 1,7,11,17-Tetraoxa-2,6,12,16-tetraazacycloeicosane
CAS No: 235093-03-5 Catalog No: AG002NGN MDL No:
Product Description
Catalog Number:
AG002NGN
Chemical Name:
1,7,11,17-Tetraoxa-2,6,12,16-tetraazacycloeicosane
CAS Number:
235093-03-5
Molecular Formula:
C12H28N4O4
Molecular Weight:
292.3751
IUPAC Name:
1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane
InChI:
InChI=1S/C12H28N4O4/c1-5-13-17-9-3-11-19-15-7-2-8-16-20-12-4-10-18-14-6-1/h13-16H,1-12H2
InChI Key:
CIUIUEVECAVHDL-UHFFFAOYSA-N
SMILES:
C1CONCCCNOCCCONCCCNOC1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.211g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
292.38g/mol
Monoisotopic Mass:
292.211g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Two oxazane macrocycles. | Acta crystallographica. Section C, Crystal structure communications 20040501 |
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