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Home > Other Heterocycles > 81476-90-6
81476-90-6 | Ethanone, 1-(6,6-dimethyl-1,4,7-trioxaspiro[4.4]non-8-yl)-
CAS No: 81476-90-6 Catalog No: AG005KJE MDL No:
Product Description
Catalog Number:
AG005KJE
Chemical Name:
Ethanone, 1-(6,6-dimethyl-1,4,7-trioxaspiro[4.4]non-8-yl)-
CAS Number:
81476-90-6
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
1-(6,6-dimethyl-1,4,7-trioxaspiro[4.4]nonan-8-yl)ethanone
InChI:
InChI=1S/C10H16O4/c1-7(11)8-6-10(9(2,3)14-8)12-4-5-13-10/h8H,4-6H2,1-3H3
InChI Key:
KBFIYEXEPSEBFF-UHFFFAOYSA-N
SMILES:
CC(=O)C1OC(C2(C1)OCCO2)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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