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136809-46-6 | 1,4,10-Trioxa-7,13-diazacyclopentadecane-6,14-dione
CAS No: 136809-46-6 Catalog No: AG0012E2 MDL No:
Product Description
Catalog Number:
AG0012E2
Chemical Name:
1,4,10-Trioxa-7,13-diazacyclopentadecane-6,14-dione
CAS Number:
136809-46-6
Molecular Formula:
C10H18N2O5
Molecular Weight:
246.2603
IUPAC Name:
1,4,10-trioxa-7,13-diazacyclopentadecane-6,14-dione
InChI:
InChI=1S/C10H18N2O5/c13-9-7-16-5-6-17-8-10(14)12-2-4-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14)
InChI Key:
STUBEYXJYBXBPM-UHFFFAOYSA-N
SMILES:
O=C1NCCOCCNC(=O)COCCOC1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.263g/mol
Monoisotopic Mass:
246.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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