2-[[1-[3-(4-carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
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![2-[[1-[3-(4-carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7f6303b6b1534f18a5369fc70f19e237.png "2-[[1-[3-(4-carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid")
2-[[1-[3-(4-carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
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CAS No:
70793-49-6
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Formula:
C21H17N5O7
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Chemical Name:
2-[[1-[3-(4-carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
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Synonyms:
70793-49-6;NSC337837;DTXSID30318867;NSC-337837;2-[(E)-{1-[3-(4-Carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl}diazenyl]benzoic acid
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CAS No:
2-[[1-[3-(4-carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Basic Attributes
451.4 g/mol
451.11279790 g/mol
337837
DTXSID30318867
Computed Properties
Molecular Weight:451.4
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:451.11279790
Monoisotopic Mass:451.11279790
Topological Polar Surface Area:178
Heavy Atom Count:33
Complexity:878
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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