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(Q82175698)
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English
3-(3-Methyl-1H-indol-1-yl)propanenitrile
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
184.2375
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂N₂
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canonical SMILES
CC1=CN(C2=CC=CC=C12)CCC#N
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Identifiers
InChI
InChI=1S/C12H12N2/c1-10-9-14(8-4-7-13)12-6-3-2-5-11(10)12/h2-3,5-6,9H,4,8H2,1H3
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InChIKey
RGVHVYXPVVRNAJ-UHFFFAOYSA-N
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CAS Registry Number
4414-81-7
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PubChem CID
2797175
1 reference
matched by identifier from
InChIKey
InChIKey
RGVHVYXPVVRNAJ-UHFFFAOYSA-N
UniChem compound ID
5826029
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70383892
1 reference
matched by identifier from
InChIKey
InChIKey
RGVHVYXPVVRNAJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80334916
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