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76663-61-1 | 2,5-Pyrrolidinedione, 1-[3-(4-hydroxy-3-iodophenyl)-1-oxopropoxy]-
CAS No: 76663-61-1 Catalog No: AG005W1U MDL No:
Product Description
Catalog Number:
AG005W1U
Chemical Name:
2,5-Pyrrolidinedione, 1-[3-(4-hydroxy-3-iodophenyl)-1-oxopropoxy]-
CAS Number:
76663-61-1
Molecular Formula:
C13H12INO5
Molecular Weight:
389.1426
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxy-3-iodophenyl)propanoate
InChI:
InChI=1S/C13H12INO5/c14-9-7-8(1-3-10(9)16)2-6-13(19)20-15-11(17)4-5-12(15)18/h1,3,7,16H,2,4-6H2
InChI Key:
JITCCUITUOPXAR-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCc1ccc(c(c1)I)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.976g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.145g/mol
Monoisotopic Mass:
388.976g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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