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(Q82484516)
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English
2-[3-(Cyanomethyl)-5-methylphenyl]-2-methylpropanenitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
198.115698448
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₄N₂
0 references
canonical SMILES
CC1=CC(=CC(=C1)C(C)(C)C#N)CC#N
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Identifiers
InChI
InChI=1S/C13H14N2/c1-10-6-11(4-5-14)8-12(7-10)13(2,3)9-15/h6-8H,4H2,1-3H3
0 references
InChIKey
ARDBNOAEHWGCOO-UHFFFAOYSA-N
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CAS Registry Number
120512-37-0
1 reference
InChIKey
ARDBNOAEHWGCOO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=120512-37-0
PubChem CID
17769394
0 references
UniChem compound ID
25675285
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90590900
1 reference
matched by identifier from
InChIKey
InChIKey
ARDBNOAEHWGCOO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40541664
0 references
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