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Home > Other Heterocycles > 1658-06-6
1658-06-6 | 1-Oxaspiro[5.5]undecane-2,4-dione
CAS No: 1658-06-6 Catalog No: AG001WCV MDL No:
Product Description
Catalog Number:
AG001WCV
Chemical Name:
1-Oxaspiro[5.5]undecane-2,4-dione
CAS Number:
1658-06-6
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
1-oxaspiro[5.5]undecane-2,4-dione
InChI:
InChI=1S/C10H14O3/c11-8-6-9(12)13-10(7-8)4-2-1-3-5-10/h1-7H2
InChI Key:
VAWIRJJPHNUVKD-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)OC2(C1)CCCCC2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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