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144950-83-4 | 2,4-Pentadienoic acid, 5-iodo-3-methyl-, ethyl ester, (2E,4E)-
CAS No: 144950-83-4 Catalog No: AG001KE2 MDL No:
Product Description
Catalog Number:
AG001KE2
Chemical Name:
2,4-Pentadienoic acid, 5-iodo-3-methyl-, ethyl ester, (2E,4E)-
CAS Number:
144950-83-4
Molecular Formula:
C8H11IO2
Molecular Weight:
266.0762
IUPAC Name:
ethyl 5-iodo-3-methylpenta-2,4-dienoate
InChI:
InChI=1S/C8H11IO2/c1-3-11-8(10)6-7(2)4-5-9/h4-6H,3H2,1-2H3
InChI Key:
IRENBIOKVOANHZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/C=C/I)\C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.078g/mol
Monoisotopic Mass:
265.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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