4-(1-carboxybutan-2-ylamino)-2-methyl-3,5-dinitrobenzoic acid
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4-(1-carboxybutan-2-ylamino)-2-methyl-3,5-dinitrobenzoic acid
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CAS No:
127971-58-8
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Formula:
C13H15N3O8
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Chemical Name:
4-(1-carboxybutan-2-ylamino)-2-methyl-3,5-dinitrobenzoic acid
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CAS No:
4-(1-carboxybutan-2-ylamino)-2-methyl-3,5-dinitrobenzoic acid Basic Attributes
341.27400
341.08591445
Computed Properties
Molecular Weight:341.27
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:341.08591445
Monoisotopic Mass:341.08591445
Topological Polar Surface Area:178
Heavy Atom Count:24
Complexity:514
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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