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881038-90-0 | 2(3H)-Furanone, dihydro-5-(1-iodoethyl)-4,4-dimethyl-
CAS No: 881038-90-0 Catalog No: AG004J1D MDL No:
Product Description
Catalog Number:
AG004J1D
Chemical Name:
2(3H)-Furanone, dihydro-5-(1-iodoethyl)-4,4-dimethyl-
CAS Number:
881038-90-0
Molecular Formula:
C8H13IO2
Molecular Weight:
268.0921
IUPAC Name:
5-(1-iodoethyl)-4,4-dimethyloxolan-2-one
InChI:
InChI=1S/C8H13IO2/c1-5(9)7-8(2,3)4-6(10)11-7/h5,7H,4H2,1-3H3
InChI Key:
XDWUJWULIZXTGB-UHFFFAOYSA-N
SMILES:
CC(C1OC(=O)CC1(C)C)I
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.094g/mol
Monoisotopic Mass:
267.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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