2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid
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![2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f1ee7dd05bb2472f9a81014b03fb6ed1.png "2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid")
2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid
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CAS No:
29193-37-1
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Formula:
C13H14I3NO3
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Chemical Name:
2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid
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Synonyms:
29193-37-1;ACETIC ACID, (3-(N-METHYLBUTYRAMIDO)-2,4,6-TRIIODOPHENYL)-;BRN 3003896;(3-(N-Methylbutyramido)-2,4,6-triiodophenyl)acetic acid;DTXSID30183451;[2,4,6-Triiodo-3-(N-methylbutyrylamino)phenyl]acetic acid
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CAS No:
2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid Basic Attributes
612.97 g/mol
612.8108 g/mol
DTXSID30183451
Computed Properties
Molecular Weight:612.97
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:612.8108
Monoisotopic Mass:612.8108
Topological Polar Surface Area:57.6
Heavy Atom Count:20
Complexity:367
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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