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(Q82273578)
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English
4-(4-formyl-2-methoxy-5-nitro-phenoxy)-butyric acid methyl ester
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
297.08485182
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₅NO₇
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canonical SMILES
COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCCC(=O)OC
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Identifiers
InChI
InChI=1S/C13H15NO7/c1-19-11-6-9(8-15)10(14(17)18)7-12(11)21-5-3-4-13(16)20-2/h6-8H,3-5H2,1-2H3
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InChIKey
IAYUODHBFOOQCA-UHFFFAOYSA-N
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CAS Registry Number
176375-42-1
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PubChem CID
11033807
1 reference
matched by identifier from
InChIKey
InChIKey
IAYUODHBFOOQCA-UHFFFAOYSA-N
UniChem compound ID
34233032
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40452761
1 reference
matched by identifier from
InChIKey
InChIKey
IAYUODHBFOOQCA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30403580
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