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294-82-6 | 1,5,9-Trioxacyclododecane (8CI,9CI)
CAS No: 294-82-6 Catalog No: AG002Y9X MDL No:
Product Description
Catalog Number:
AG002Y9X
Chemical Name:
1,5,9-Trioxacyclododecane (8CI,9CI)
CAS Number:
294-82-6
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
1,5,9-trioxacyclododecane
InChI:
InChI=1S/C9H18O3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h1-9H2
InChI Key:
VHWMQWZUNGLUCL-UHFFFAOYSA-N
SMILES:
C1CCOCCCOCCCO1
Properties
Complexity:
70.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Electronic effects in 12-metallacrown-3 complexes. A theoretical and experimental study. | Inorganic chemistry 20030602 |
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