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Home > Other Heterocycles > 192715-15-4
192715-15-4 | 2,8,14-Trioxa-5,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-4,12-dione
CAS No: 192715-15-4 Catalog No: AG002G8X MDL No:
Product Description
Catalog Number:
AG002G8X
Chemical Name:
2,8,14-Trioxa-5,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-4,12-dione
CAS Number:
192715-15-4
Molecular Formula:
C14H18N2O5
Molecular Weight:
294.3031
IUPAC Name:
2,8,14-trioxa-5,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-4,12-dione
InChI:
InChI=1S/C14H18N2O5/c17-13-9-20-11-2-1-3-12(8-11)21-10-14(18)16-5-7-19-6-4-15-13/h1-3,8H,4-7,9-10H2,(H,15,17)(H,16,18)
InChI Key:
FASOASAIPXJARO-UHFFFAOYSA-N
SMILES:
O=C1NCCOCCNC(=O)COc2cc(OC1)ccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.307g/mol
Monoisotopic Mass:
294.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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