4-(3-amino-2,4,6-triiodo-N-methylanilino)-2-ethyl-4-oxobutanoic acid
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4-(3-amino-2,4,6-triiodo-N-methylanilino)-2-ethyl-4-oxobutanoic acid
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CAS No:
37934-60-4
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Formula:
C13H15I3N2O3
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Chemical Name:
4-(3-amino-2,4,6-triiodo-N-methylanilino)-2-ethyl-4-oxobutanoic acid
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Synonyms:
Butanoic acid,4-((3-amino-2,4,6-triiodophenyl)methylamino)-2-ethyl-4-oxo; 4-[(3-amino-2,4,6-triiodophenyl)(methyl)amino]-2-ethyl-4-oxobutanoic acid; Succinanilic acid,5'-amino-2-ethyl-N-methyl-2',4',6'-triiodo; 5'-Amino-2-ethyl-N-methyl-2',4',6'-triiodosuccinanilic acid;
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CAS No:
4-(3-amino-2,4,6-triiodo-N-methylanilino)-2-ethyl-4-oxobutanoic acid Basic Attributes
627.98300
627.8217 g/mol
Computed Properties
Molecular Weight:627.98
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:627.8217
Monoisotopic Mass:627.8217
Topological Polar Surface Area:83.6
Heavy Atom Count:21
Complexity:397
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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