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Ethyl 5-iodopentanoate

CAT: 0127-OR1052344-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052344-01Size:250 mg
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CAS Number
41302-32-3
MDL Number
MFCD00028830
Purity
95%
Smiles
O=C(OCC)CCCCI

Chemical Information

Ethyl 5-iodopentanoate
CAS Number41302-32-3
PubChem CID4169827
IUPAC Nameethyl 5-iodopentanoate
Molecular FormulaC7H13IO2
Molecular Weight256.08
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CCOC(=O)CCCCI
InChI
InChI=1S/C7H13IO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
InChIKey
RUVQSRJJSDAXER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 5-iodopentanoate
CAS: 41302-32-3
CID: 4169827
Formula: C7H13IO2
MW: 256.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.08
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass255.99603
Monoisotopic Mass255.99603
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.6
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