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(Q82483552)
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Methyl 4-methoxy-2-nitrobenzoate
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
211.1718
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₉NO₅
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canonical SMILES
COC1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C9H9NO5/c1-14-6-3-4-7(9(11)15-2)8(5-6)10(12)13/h3-5H,1-2H3
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InChIKey
APKDQNMBIHKQSF-UHFFFAOYSA-N
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CAS Registry Number
181871-73-8
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PubChem CID
17733355
1 reference
matched by identifier from
InChIKey
InChIKey
APKDQNMBIHKQSF-UHFFFAOYSA-N
UniChem compound ID
14030779
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70589913
1 reference
matched by identifier from
InChIKey
InChIKey
APKDQNMBIHKQSF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40540677
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