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79687-33-5 | 1,4,7,10,13-Pentaoxacyclopentadecane-2,5,9-trione
CAS No: 79687-33-5 Catalog No: AG005IN1 MDL No:
Product Description
Catalog Number:
AG005IN1
Chemical Name:
1,4,7,10,13-Pentaoxacyclopentadecane-2,5,9-trione
CAS Number:
79687-33-5
Molecular Formula:
C10H14O8
Molecular Weight:
262.2134
IUPAC Name:
1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione
InChI:
InChI=1S/C10H14O8/c11-8-5-15-6-9(12)18-7-10(13)17-4-2-14-1-3-16-8/h1-7H2
InChI Key:
DHUWIROMNMQGIC-UHFFFAOYSA-N
SMILES:
O=C1COCC(=O)OCCOCCOC(=O)CO1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.214g/mol
Monoisotopic Mass:
262.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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