2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid
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![2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/add151b3385b4cb7b90fa7e4e8b6cd3a.png "2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid")
2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid
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CAS No:
51374-99-3
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Formula:
C13H14I3NO3
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Chemical Name:
2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid
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Synonyms:
51374-99-3;N-Acetyliopanoic acid;BRN 2767480;3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid;HYDROCINNAMIC ACID, 3-ACETAMIDO-alpha-ETHYL-2,4,6-TRIIODO-;SCHEMBL19260214;2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid;DTXSID90965674;2-Ethyl-3-(3-acetylamino-2,4,6-triiodophenyl)propanoic acid;2-({3-[(1-Hydroxyethylidene)amino]-2,4,6-triiodophenyl}methyl)butanoic acid
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CAS No:
2-[(3-acetamido-2,4,6-triiodophenyl)methyl]butanoic acid Basic Attributes
612.97 g/mol
612.8108 g/mol
Computed Properties
Molecular Weight:612.97
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:612.8108
Monoisotopic Mass:612.8108
Topological Polar Surface Area:66.4
Heavy Atom Count:20
Complexity:367
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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