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Home > Other Heterocycles > 89149-54-2
89149-54-2 | Methanone, 1-oxaspiro[2.5]oct-2-ylphenyl-
CAS No: 89149-54-2 Catalog No: AG003XHO MDL No:
Product Description
Catalog Number:
AG003XHO
Chemical Name:
Methanone, 1-oxaspiro[2.5]oct-2-ylphenyl-
CAS Number:
89149-54-2
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
1-oxaspiro[2.5]octan-2-yl(phenyl)methanone
InChI:
InChI=1S/C14H16O2/c15-12(11-7-3-1-4-8-11)13-14(16-13)9-5-2-6-10-14/h1,3-4,7-8,13H,2,5-6,9-10H2
InChI Key:
VDXQYENZEORIHE-UHFFFAOYSA-N
SMILES:
O=C(C1OC21CCCCC2)c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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