2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid
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2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid
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CAS No:
37791-27-8
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Formula:
C9H11N3O6S
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Chemical Name:
2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid
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Synonyms:
37791-27-8;NSC245215;SCHEMBL7821502;DTXSID40311783;2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid;N-(3,5-Dinitrothiophen-2-yl)valine;AKOS024341638;MCULE-3360466538;NSC-245215;DS-012682;2-[(3,5-dinitrothiophen-2-yl)amino]-3-methyl-butanoic acid;2-(3,5-DINITRO-THIOPHEN-2-YLAMINO)-3-METHYL-BUTYRIC ACID
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CAS No:
2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid Basic Attributes
289.27 g/mol
289.03685625 g/mol
245215
DTXSID40311783
Computed Properties
Molecular Weight:289.27
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:289.03685625
Monoisotopic Mass:289.03685625
Topological Polar Surface Area:169
Heavy Atom Count:19
Complexity:379
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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