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78684-68-1 | 2H-Cyclopenta[b]furan-2-one, hexahydro-6-iodo-
CAS No: 78684-68-1 Catalog No: AG0051WH MDL No:
Product Description
Catalog Number:
AG0051WH
Chemical Name:
2H-Cyclopenta[b]furan-2-one, hexahydro-6-iodo-
CAS Number:
78684-68-1
Molecular Formula:
C7H9IO2
Molecular Weight:
252.0496
IUPAC Name:
6-iodo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
InChI:
InChI=1S/C7H9IO2/c8-5-2-1-4-3-6(9)10-7(4)5/h4-5,7H,1-3H2
InChI Key:
CMPQBFWDBHKWRY-UHFFFAOYSA-N
SMILES:
O=C1CC2C(O1)C(CC2)I
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.051g/mol
Monoisotopic Mass:
251.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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