2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid
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![2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f0de9a3bd00455f8141bdd220b0e33f.png "2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid")
2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid
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CAS No:
7505-43-3
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Formula:
C18H14N2O6S
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Chemical Name:
2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid
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Synonyms:
7505-43-3;NSC48612;DTXSID60287012;NSC-48612;2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-{[(4-nitrophenyl)methyl]sulfanyl}propanoic acid
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CAS No:
2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid Basic Attributes
386.4 g/mol
386.05725734 g/mol
48612
DTXSID60287012
Computed Properties
Molecular Weight:386.4
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:386.05725734
Monoisotopic Mass:386.05725734
Topological Polar Surface Area:146
Heavy Atom Count:27
Complexity:590
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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