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Home > Other Heterocycles > 113503-49-4
113503-49-4 | 2-Oxabicyclo[3.2.2]nonan-3-one, 6,7,8,9-tetrakis(methylene)-
CAS No: 113503-49-4 Catalog No: AG0008TX MDL No:
Product Description
Catalog Number:
AG0008TX
Chemical Name:
2-Oxabicyclo[3.2.2]nonan-3-one, 6,7,8,9-tetrakis(methylene)-
CAS Number:
113503-49-4
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
6,7,8,9-tetramethylidene-2-oxabicyclo[3.2.2]nonan-3-one
InChI:
InChI=1S/C12H12O2/c1-6-8(3)12-9(4)7(2)10(6)5-11(13)14-12/h10,12H,1-5H2
InChI Key:
HQIREIQEVUIOJK-UHFFFAOYSA-N
SMILES:
O=C1CC2C(=C)C(=C)C(O1)C(=C)C2=C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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