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Home > Other Heterocycles > 6051-08-7
6051-08-7 | 3-oxaspiro[5.5]undecan-2-one
CAS No: 6051-08-7 Catalog No: AG01AND7 MDL No:MFCD01710326
Product Description
Catalog Number:
AG01AND7
Chemical Name:
3-oxaspiro[5.5]undecan-2-one
CAS Number:
6051-08-7
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD01710326
IUPAC Name:
3-oxaspiro[5.5]undecan-4-one
InChI:
InChI=1S/C10H16O2/c11-9-8-10(6-7-12-9)4-2-1-3-5-10/h1-8H2
InChI Key:
PBCKZQMQHOUENP-UHFFFAOYSA-N
SMILES:
O=C1OCCC2(C1)CCCCC2
Properties
Complexity:
180
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:
2.8
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