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Home > Other Heterocycles > 68436-49-7
68436-49-7 | 3,6,9,12-Tetraoxa-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
CAS No: 68436-49-7 Catalog No: AG006JU6 MDL No:
Product Description
Catalog Number:
AG006JU6
Chemical Name:
3,6,9,12-Tetraoxa-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
CAS Number:
68436-49-7
Molecular Formula:
C13H15NO6
Molecular Weight:
281.2613
IUPAC Name:
3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
InChI:
InChI=1S/C13H15NO6/c15-12-10-2-1-3-11(14-10)13(16)20-9-7-18-5-4-17-6-8-19-12/h1-3H,4-9H2
InChI Key:
UUAALBXIYYGRFN-UHFFFAOYSA-N
SMILES:
O=C1OCCOCCOCCOC(=O)c2nc1ccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.264g/mol
Monoisotopic Mass:
281.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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