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(Q83047412)
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English
1-(1H-Indol-3-yl)butan-1-one
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
187.099714036
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₃NO
0 references
canonical SMILES
CCCC(=O)C1=CNC2=CC=CC=C21
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Identifiers
InChI
InChI=1S/C12H13NO/c1-2-5-12(14)10-8-13-11-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3
0 references
InChIKey
CPSCIKJSJRJTMF-UHFFFAOYSA-N
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CAS Registry Number
22582-67-8
1 reference
InChIKey
CPSCIKJSJRJTMF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=22582-67-8
PubChem CID
89760
1 reference
matched by identifier from
InChIKey
InChIKey
CPSCIKJSJRJTMF-UHFFFAOYSA-N
UniChem compound ID
9061268
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60177106
1 reference
matched by identifier from
InChIKey
InChIKey
CPSCIKJSJRJTMF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3099597
0 references
NSC number
82297
0 references
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