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Home Other Building Blocks 1,4,7-Trioxacyclotridecane-8,13-dione

1,4,7-Trioxacyclotridecane-8,13-dione

CAS No.:
6607-34-7
Catalog Number:
AG003DLY
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
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Product Description
Catalog Number:
AG003DLY
Chemical Name:
1,4,7-Trioxacyclotridecane-8,13-dione
CAS Number:
6607-34-7
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
MDL Number:
MFCD00046973
IUPAC Name:
1,4,7-trioxacyclotridecane-8,13-dione
InChI:
InChI=1S/C10H16O5/c11-9-3-1-2-4-10(12)15-8-6-13-5-7-14-9/h1-8H2
InChI Key:
PMDHMYFSRFZGIO-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=O)OCCOCCO1
EC Number:
229-554-3
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Analytical tools for identification of non-intentionally added substances (NIAS) coming from polyurethane adhesives in multilayer packaging materials and their migration into food simulants. Analytical and bioanalytical chemistry 20120701
Properties