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14948-68-6 | 3,5-Methano-2H-cyclopenta[b]furan-2-one, hexahydro-6-iodo-
CAS No: 14948-68-6 Catalog No: AG001LR9 MDL No:MFCD00089713
Product Description
Catalog Number:
AG001LR9
Chemical Name:
3,5-Methano-2H-cyclopenta[b]furan-2-one, hexahydro-6-iodo-
CAS Number:
14948-68-6
Molecular Formula:
C8H9IO2
Molecular Weight:
264.0603
MDL Number:
MFCD00089713
IUPAC Name:
2-iodo-4-oxatricyclo[4.2.1.03,7]nonan-5-one
InChI:
InChI=1S/C8H9IO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2
InChI Key:
HDHTTWLQAIUNEA-UHFFFAOYSA-N
SMILES:
O=C1OC2C3C1CC(C2I)C3
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.062g/mol
Monoisotopic Mass:
263.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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