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Home > Other Heterocycles > 80706-59-8
80706-59-8 | Ethanone, 1-(1-oxaspiro[2.2]pent-2-yl)-
CAS No: 80706-59-8 Catalog No: AG0058P6 MDL No:
Product Description
Catalog Number:
AG0058P6
Chemical Name:
Ethanone, 1-(1-oxaspiro[2.2]pent-2-yl)-
CAS Number:
80706-59-8
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
1-(1-oxaspiro[2.2]pentan-2-yl)ethanone
InChI:
InChI=1S/C6H8O2/c1-4(7)5-6(8-5)2-3-6/h5H,2-3H2,1H3
InChI Key:
WXHPDUCEGKOFRN-UHFFFAOYSA-N
SMILES:
CC(=O)C1OC21CC2
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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