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92855-05-5 | 2-Propen-1-one, 1-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)-
CAS No: 92855-05-5 Catalog No: AG0068A9 MDL No:
Product Description
Catalog Number:
AG0068A9
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)-
CAS Number:
92855-05-5
Molecular Formula:
C16H13IO3
Molecular Weight:
380.1771
IUPAC Name:
1-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13IO3/c1-20-13-6-2-11(3-7-13)4-8-15(18)14-10-12(17)5-9-16(14)19/h2-10,19H,1H3
InChI Key:
BASMPNVUGVONGP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)c1cc(I)ccc1O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.991g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.181g/mol
Monoisotopic Mass:
379.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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