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13747-10-9 | 1,10-Cyclooctadecanedione
CAS No: 13747-10-9 Catalog No: AG0013CJ MDL No:
Product Description
Catalog Number:
AG0013CJ
Chemical Name:
1,10-Cyclooctadecanedione
CAS Number:
13747-10-9
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
cyclooctadecane-1,10-dione
InChI:
InChI=1S/C18H32O2/c19-17-13-9-5-1-2-6-10-14-18(20)16-12-8-4-3-7-11-15-17/h1-16H2
InChI Key:
OSGRVHXQLPLNRA-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCC(=O)CCCCCCCC1
NSC Number:
145108
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane. | Organic letters 20050707 |
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