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500711-84-2 | Heptanoic acid, 7-(2,4,6-triiodophenoxy)-, ethyl ester
CAS No: 500711-84-2 Catalog No: AG006WCL MDL No:
Product Description
Catalog Number:
AG006WCL
Chemical Name:
Heptanoic acid, 7-(2,4,6-triiodophenoxy)-, ethyl ester
CAS Number:
500711-84-2
Molecular Formula:
C15H19I3O3
Molecular Weight:
628.0230
IUPAC Name:
ethyl 7-(2,4,6-triiodophenoxy)heptanoate
InChI:
InChI=1S/C15H19I3O3/c1-2-20-14(19)7-5-3-4-6-8-21-15-12(17)9-11(16)10-13(15)18/h9-10H,2-8H2,1H3
InChI Key:
INRPVOURYYCLTQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCOc1c(I)cc(cc1I)I
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
627.847g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
628.027g/mol
Monoisotopic Mass:
627.847g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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