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Home > Other Heterocycles > 113666-70-9
113666-70-9 | 2-Oxaspiro[4.4]nonan-6-one, 9-(1,1-dimethylethyl)-3-methoxy-
CAS No: 113666-70-9 Catalog No: AG00099P MDL No:
Product Description
Catalog Number:
AG00099P
Chemical Name:
2-Oxaspiro[4.4]nonan-6-one, 9-(1,1-dimethylethyl)-3-methoxy-
CAS Number:
113666-70-9
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
6-tert-butyl-3-methoxy-2-oxaspiro[4.4]nonan-9-one
InChI:
InChI=1S/C13H22O3/c1-12(2,3)9-5-6-10(14)13(9)7-11(15-4)16-8-13/h9,11H,5-8H2,1-4H3
InChI Key:
VGOJQKNCZOTBFY-UHFFFAOYSA-N
SMILES:
COC1OCC2(C1)C(=O)CCC2C(C)(C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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