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(Q82242002)
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English
2,4,6-trimethyl-3-nitrobenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
209.068807832
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₁NO₄
0 references
canonical SMILES
CC1=CC(=C(C(=C1C(=O)O)C)[N+](=O)[O-])C
0 references
Identifiers
InChI
InChI=1S/C10H11NO4/c1-5-4-6(2)9(11(14)15)7(3)8(5)10(12)13/h4H,1-3H3,(H,12,13)
0 references
InChIKey
MNCAEAPELOWRRK-UHFFFAOYSA-N
0 references
CAS Registry Number
106567-41-3
0 references
PubChem CID
8167077
1 reference
matched by identifier from
InChIKey
InChIKey
MNCAEAPELOWRRK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL4663909
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MNCAEAPELOWRRK-UHFFFAOYSA-N
UniChem compound ID
23637882
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40429094
1 reference
matched by identifier from
InChIKey
InChIKey
MNCAEAPELOWRRK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80379928
0 references
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