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(Q82128735)
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English
ethyl 1-(cyanomethyl)-1H-indole-2-carboxylate
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
228.2471
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂N₂O₂
0 references
canonical SMILES
CCOC(=O)C1=CC2=CC=CC=C2N1CC#N
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Identifiers
InChI
InChI=1S/C13H12N2O2/c1-2-17-13(16)12-9-10-5-3-4-6-11(10)15(12)8-7-14/h3-6,9H,2,8H2,1H3
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InChIKey
BORDUBSKEZATIX-UHFFFAOYSA-N
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CAS Registry Number
126718-04-5
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PubChem CID
713238
1 reference
matched by identifier from
InChIKey
InChIKey
BORDUBSKEZATIX-UHFFFAOYSA-N
UniChem compound ID
6854926
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40351907
1 reference
matched by identifier from
InChIKey
InChIKey
BORDUBSKEZATIX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80302973
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