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1675-83-8 | 1H-Indene-1,3(2H)-dione, 2-[3-(4-iodophenyl)-3-oxo-1-phenylpropyl]-
CAS No: 1675-83-8 Catalog No: AG001XFR MDL No:
Product Description
Catalog Number:
AG001XFR
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[3-(4-iodophenyl)-3-oxo-1-phenylpropyl]-
CAS Number:
1675-83-8
Molecular Formula:
C24H17IO3
Molecular Weight:
480.2944
IUPAC Name:
2-[3-(4-iodophenyl)-3-oxo-1-phenylpropyl]indene-1,3-dione
InChI:
InChI=1S/C24H17IO3/c25-17-12-10-16(11-13-17)21(26)14-20(15-6-2-1-3-7-15)22-23(27)18-8-4-5-9-19(18)24(22)28/h1-13,20,22H,14H2
InChI Key:
QYPLBALJMCVFSJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)CC(C1C(=O)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.022g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.301g/mol
Monoisotopic Mass:
480.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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