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Home > Other Heterocycles > 91328-29-9
91328-29-9 | 11,13-Dioxadispiro[4.0.4.3]tridecan-12-one
CAS No: 91328-29-9 Catalog No: AG006CGZ MDL No:
Product Description
Catalog Number:
AG006CGZ
Chemical Name:
11,13-Dioxadispiro[4.0.4.3]tridecan-12-one
CAS Number:
91328-29-9
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
11,13-dioxadispiro[4.0.46.35]tridecan-12-one
InChI:
InChI=1S/C11H16O3/c12-9-13-10(5-1-2-6-10)11(14-9)7-3-4-8-11/h1-8H2
InChI Key:
CGBUFSANXSXNLA-UHFFFAOYSA-N
SMILES:
O=C1OC2(C3(O1)CCCC3)CCCC2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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