Home Other Building Blocks 3-​oxaspiro[5.5]​undecan-​9-​one

3-​oxaspiro[5.5]​undecan-​9-​one

CAS No.:
1159280-53-1
Catalog Number:
AG000H3Z
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
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Product Description
Catalog Number:
AG000H3Z
Chemical Name:
3-​oxaspiro[5.5]​undecan-​9-​one
CAS Number:
1159280-53-1
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD17013084
IUPAC Name:
3-oxaspiro[5.5]undecan-9-one
InChI:
InChI=1S/C10H16O2/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h1-8H2
InChI Key:
OOKHKTHERWWYQI-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)CCOCC2
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties