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(Q81984952)
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English
(2E)-3-Methyl-5-phenylpent-2-enenitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
171.104799416
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₃N
0 references
canonical SMILES
C/C(=C\C#N)CCc1ccccc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C(=C\C#N)/CCC1=CC=CC=C1
0 references
Identifiers
InChI
InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+
0 references
InChIKey
QELCXXZZKSRBET-PKNBQFBNSA-N
0 references
CAS Registry Number
53243-60-0
1 reference
InChIKey
QELCXXZZKSRBET-PKNBQFBNSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=53243-60-0
PubChem CID
1585264
1 reference
matched by identifier from
InChIKey
InChIKey
QELCXXZZKSRBET-PKNBQFBNSA-N
SureChEMBL ID
SCHEMBL111450
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QELCXXZZKSRBET-PKNBQFBNSA-N
SCHEMBL111451
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QELCXXZZKSRBET-PKNBQFBNSA-N
UniChem compound ID
9329835
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID5052171
1 reference
matched by identifier from
InChIKey
InChIKey
QELCXXZZKSRBET-PKNBQFBNSA-N
DSSTOX compound identifier
DTXCID5030741
0 references
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