MS-6435
(Q82192109)
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chemical compound
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MS-6435
chemical compound
Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
186.054160812
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₆N₄O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N#CC(N)=C(C#N)/N=C/c1ccco1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
N#CC(N)=C(C#N)/N=C/c1ccco1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H6N4O/c10-4-8(12)9(5-11)13-6-7-2-1-3-14-7/h1-3,6H,12H2/b9-8?,13-6+
0 references
InChIKey
TUDIERUENMEXLK-HHYXCLOKSA-N
0 references
CAS Registry Number
55083-94-8
0 references
DSSTox substance ID
DTXSID30393356
1 reference
matched by identifier from
InChIKey
InChIKey
TUDIERUENMEXLK-HHYXCLOKSA-N
DSSTOX compound identifier
DTXCID20344216
0 references
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