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917973-62-7 | 2-Propen-1-one, 3-(2-furanyl)-1-(2-hydroxy-3,5-diiodophenyl)-
CAS No: 917973-62-7 Catalog No: AG006MDV MDL No:
Product Description
Catalog Number:
AG006MDV
Chemical Name:
2-Propen-1-one, 3-(2-furanyl)-1-(2-hydroxy-3,5-diiodophenyl)-
CAS Number:
917973-62-7
Molecular Formula:
C13H8I2O3
Molecular Weight:
466.0098
IUPAC Name:
3-(furan-2-yl)-1-(2-hydroxy-3,5-diiodophenyl)prop-2-en-1-one
InChI:
InChI=1S/C13H8I2O3/c14-8-6-10(13(17)11(15)7-8)12(16)4-3-9-2-1-5-18-9/h1-7,17H
InChI Key:
HSKAUWXXXLSTIO-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c(c1)C(=O)C=Cc1ccco1)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.856g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.013g/mol
Monoisotopic Mass:
465.856g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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