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Home > Other Heterocycles > 72258-83-4
72258-83-4 | 1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-
CAS No: 72258-83-4 Catalog No: AG0068ON MDL No:
Product Description
Catalog Number:
AG0068ON
Chemical Name:
1-Oxaspiro[4.5]decan-2-one,8-(1,1-dimethylethyl)-
CAS Number:
72258-83-4
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
8-tert-butyl-1-oxaspiro[4.5]decan-2-one
InChI:
InChI=1S/C13H22O2/c1-12(2,3)10-4-7-13(8-5-10)9-6-11(14)15-13/h10H,4-9H2,1-3H3
InChI Key:
KNLQQGJLNMJBQL-UHFFFAOYSA-N
SMILES:
CC(C1CCC2(CC1)CCC(=O)O2)(C)C
EC Number:
276-543-4
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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