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2-Iodocyclopent-2-enone

CAT: 0926-IBA94835-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-IBA94835-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33948-35-5
MDL Number
MFCD03427143
Smiles
C1CC (=O) C (=C1) I
Molecular Formula
C5H5IO
Molecular Weight
208 g/mol
Controlled
No

Chemical Information

2-Iodo-cyclopent-2-enone
CAS Number33948-35-5
PubChem CID10867499
IUPAC Name2-iodocyclopent-2-en-1-one
Molecular FormulaC5H5IO
Molecular Weight208.00
XLogP1.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity126
SMILES
C1CC(=O)C(=C1)I
InChI
InChI=1S/C5H5IO/c6-4-2-1-3-5(4)7/h2H,1,3H2
InChIKey
IMUSDFZITNOTLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-cyclopent-2-enone
CAS: 33948-35-5
CID: 10867499
Formula: C5H5IO
MW: 208.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.00
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass207.93851
Monoisotopic Mass207.93851
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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