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Home > Other Heterocycles > 1481-99-8
1481-99-8 | Spiro[5.5]undecane-2,4-dione
CAS No: 1481-99-8 Catalog No: AG001FG3 MDL No:MFCD03844396
Product Description
Catalog Number:
AG001FG3
Chemical Name:
Spiro[5.5]undecane-2,4-dione
CAS Number:
1481-99-8
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD03844396
IUPAC Name:
spiro[5.5]undecane-2,4-dione
InChI:
InChI=1S/C11H16O2/c12-9-6-10(13)8-11(7-9)4-2-1-3-5-11/h1-8H2
InChI Key:
LKFBIHAJCFDIIN-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC2(C1)CCCCC2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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