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Home > Other Heterocycles > 65745-83-7
65745-83-7 | 3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione
CAS No: 65745-83-7 Catalog No: AG01EMWE MDL No:
Product Description
Catalog Number:
AG01EMWE
Chemical Name:
3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione
CAS Number:
65745-83-7
Molecular Formula:
C16H20O7
Molecular Weight:
324.3258
IUPAC Name:
3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
InChI:
InChI=1S/C16H20O7/c17-15-13-2-1-3-14(12-13)16(18)23-11-9-21-7-5-19-4-6-20-8-10-22-15/h1-3,12H,4-11H2
InChI Key:
HZYZWGYPBXBALT-UHFFFAOYSA-N
SMILES:
O=C1OCCOCCOCCOCCOC(=O)c2cc1ccc2
UNII:
57XYR67LJF
NSC Number:
297861
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.329g/mol
Monoisotopic Mass:
324.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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