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16121-14-5 | Oxacyclododecane-2,8-dione
CAS No: 16121-14-5 Catalog No: AG001S9X MDL No:
Product Description
Catalog Number:
AG001S9X
Chemical Name:
Oxacyclododecane-2,8-dione
CAS Number:
16121-14-5
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
oxacyclododecane-2,8-dione
InChI:
InChI=1S/C11H18O3/c12-10-6-2-1-3-8-11(13)14-9-5-4-7-10/h1-9H2
InChI Key:
UXXMYQVAUQQYNE-UHFFFAOYSA-N
SMILES:
O=C1CCCCCC(=O)OCCCC1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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