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Home > Other Heterocycles > 117221-94-0
117221-94-0 | Dispiro[5.1.5.2]pentadecane-3,7,11-trione
CAS No: 117221-94-0 Catalog No: AG000DYC MDL No:
Product Description
Catalog Number:
AG000DYC
Chemical Name:
Dispiro[5.1.5.2]pentadecane-3,7,11-trione
CAS Number:
117221-94-0
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
dispiro[5.1.58.26]pentadecane-3,7,11-trione
InChI:
InChI=1S/C15H20O3/c16-11-1-5-14(6-2-11)9-10-15(13(14)18)7-3-12(17)4-8-15/h1-10H2
InChI Key:
VAHQPKBSIILJDD-UHFFFAOYSA-N
SMILES:
O=C1C2(CCC31CCC(=O)CC3)CCC(=O)CC2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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