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831224-41-0 | 2-Propen-1-one, 1-(2-hydroxy-3,5-diiodophenyl)-3-(4-methoxyphenyl)-
CAS No: 831224-41-0 Catalog No: AG005A8G MDL No:
Product Description
Catalog Number:
AG005A8G
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-3,5-diiodophenyl)-3-(4-methoxyphenyl)-
CAS Number:
831224-41-0
Molecular Formula:
C16H12I2O3
Molecular Weight:
506.0736
IUPAC Name:
1-(2-hydroxy-3,5-diiodophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H12I2O3/c1-21-12-5-2-10(3-6-12)4-7-15(19)13-8-11(17)9-14(18)16(13)20/h2-9,20H,1H3
InChI Key:
JCWTZRMFDUHZPD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)c1cc(I)cc(c1O)I
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.888g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.078g/mol
Monoisotopic Mass:
505.888g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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