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Home > Other Heterocycles > 6946-57-2
6946-57-2 | 1,4-Dioxaspiro[4.4]nonan-2-one,3-phenyl-
CAS No: 6946-57-2 Catalog No: AG005LUK MDL No:
Product Description
Catalog Number:
AG005LUK
Chemical Name:
1,4-Dioxaspiro[4.4]nonan-2-one,3-phenyl-
CAS Number:
6946-57-2
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
2-phenyl-1,4-dioxaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C13H14O3/c14-12-11(10-6-2-1-3-7-10)15-13(16-12)8-4-5-9-13/h1-3,6-7,11H,4-5,8-9H2
InChI Key:
ULZDPROZYUPRIV-UHFFFAOYSA-N
SMILES:
O=C1OC2(OC1c1ccccc1)CCCC2
NSC Number:
57337
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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