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Home > Other Heterocycles > 189824-72-4
189824-72-4 | 1,2,4-Trioxaspiro[4.5]decan-8-one, 3,3-dimethyl-
CAS No: 189824-72-4 Catalog No: AG002E19 MDL No:
Product Description
Catalog Number:
AG002E19
Chemical Name:
1,2,4-Trioxaspiro[4.5]decan-8-one, 3,3-dimethyl-
CAS Number:
189824-72-4
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
3,3-dimethyl-1,2,4-trioxaspiro[4.5]decan-8-one
InChI:
InChI=1S/C9H14O4/c1-8(2)11-9(13-12-8)5-3-7(10)4-6-9/h3-6H2,1-2H3
InChI Key:
PRJHWVRDKVBGGV-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)OOC(O2)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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