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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > nitrophenol > dinitrophenol > (4-hydroxy-3,5-dinitrophenyl)-propionic acid methyl ester

Preferred term

(4-hydroxy-3,5-dinitrophenyl)-propionic acid methyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C10H10N2O7

inchi

  • InChI=1S/C10H10N2O7/c1-19-9(13)3-2-6-4-7(11(15)16)10(14)8(5-6)12(17)18/h4-5,14H,2-3H2,1H3

inchikey

  • DQLWOAONCUINLZ-UHFFFAOYSA-N

mass

  • 270.197

monoisotopicmass

  • 270.04880

smiles

  • O=[N+]([O-])C1=C(O)C([N+](=O)[O-])=CC(=C1)CCC(=O)OC

subset

  • 2_STAR

synonym EXACT

  • methyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223839

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