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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > nitrophenol > methyl (2,5-dihydroxy-3-nitrophenyl) acetate

Preferred term

methyl (2,5-dihydroxy-3-nitrophenyl) acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C9H9NO6

inchi

  • InChI=1S/C9H9NO6/c1-16-8(12)3-5-2-6(11)4-7(9(5)13)10(14)15/h2,4,11,13H,3H2,1H3

inchikey

  • NBFISYVVWKCRKR-UHFFFAOYSA-N

mass

  • 227.172

monoisotopicmass

  • 227.04299

smiles

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

subset

  • 2_STAR

synonym EXACT

  • methyl 2-(2,5-dihydroxy-3-nitrophenyl)acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201841

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