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(Q82232139)
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NSC98558
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
213.090211972
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₁N₃O
0 references
canonical SMILES
O=C1C=CC=C/C1=C\NNc1ccccn1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=CC=NC(=C1)NN/C=C/2\C=CC=CC2=O
0 references
Identifiers
InChI
InChI=1S/C12H11N3O/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12/h1-9,14H,(H,13,15)/b10-9+
0 references
InChIKey
JAXLYKGXVLDQMO-MDZDMXLPSA-N
0 references
CAS Registry Number
2824-60-4
0 references
DSSTox substance ID
DTXSID40420844
1 reference
matched by identifier from
InChIKey
InChIKey
JAXLYKGXVLDQMO-MDZDMXLPSA-N
DSSTOX compound identifier
DTXCID90371690
0 references
NSC number
98558
0 references
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