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14113-56-5 | 1,10-Cycloeicosanedione
CAS No: 14113-56-5 Catalog No: AG001FYW MDL No:
Product Description
Catalog Number:
AG001FYW
Chemical Name:
1,10-Cycloeicosanedione
CAS Number:
14113-56-5
Molecular Formula:
C20H36O2
Molecular Weight:
308.4986
IUPAC Name:
cycloicosane-1,10-dione
InChI:
InChI=1S/C20H36O2/c21-19-15-11-7-3-1-2-4-8-12-16-20(22)18-14-10-6-5-9-13-17-19/h1-18H2
InChI Key:
LDGQUFYTSFGKFE-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCC(=O)CCCCCCCCCC1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.272g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.506g/mol
Monoisotopic Mass:
308.272g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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