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172495-33-9 | 2-Propenoic acid, 3-iodo-, ethyl ester
CAS No: 172495-33-9 Catalog No: AG007VV7 MDL No:
Product Description
Catalog Number:
AG007VV7
Chemical Name:
2-Propenoic acid, 3-iodo-, ethyl ester
CAS Number:
172495-33-9
Molecular Formula:
C5H7IO2
Molecular Weight:
226.0124
IUPAC Name:
ethyl 3-iodoprop-2-enoate
InChI:
InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3
InChI Key:
AELYFQSZXFFNGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CI
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.949g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.013g/mol
Monoisotopic Mass:
225.949g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Nickel-catalyzed highly regio- and stereoselective three-component assembly of allenes, aryl iodides, and alkenylzirconium reagents. | Journal of the American Chemical Society 20031015 |
| Sugar-modified conjugated diene analogues of adenosine and uridine: synthesis, interaction with S-adenosyl-L-homocysteine hydrolase, and antiviral and cytostatic effects. | Journal of medicinal chemistry 20020606 |
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