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(Q82394982)
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English
4-{[(5-Nitrofuran-2-yl)methyl]amino}benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
262.05897142000003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₀N₂O₅
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canonical SMILES
C1=CC(=CC=C1C(=O)O)NCC2=CC=C(O2)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C12H10N2O5/c15-12(16)8-1-3-9(4-2-8)13-7-10-5-6-11(19-10)14(17)18/h1-6,13H,7H2,(H,15,16)
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InChIKey
KEJMTVUKDIOHTE-UHFFFAOYSA-N
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CAS Registry Number
88796-61-6
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PubChem CID
13197016
1 reference
matched by identifier from
InChIKey
InChIKey
KEJMTVUKDIOHTE-UHFFFAOYSA-N
UniChem compound ID
51412980
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00526497
1 reference
matched by identifier from
InChIKey
InChIKey
KEJMTVUKDIOHTE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30477302
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