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(Q82598866)
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English
(4-Methylphenyl)[1-(~2~H_3_)methyl-1H-pyrrol-2-yl]methanone
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
202.118544274
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₃NO
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canonical SMILES
[2H]C([2H])([2H])N1C=CC=C1C(=O)C2=CC=C(C=C2)C
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Identifiers
InChI
InChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-3-9-14(12)2/h3-9H,1-2H3/i2D3
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InChIKey
WKUBFPPJDMDEFL-BMSJAHLVSA-N
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CAS Registry Number
1185001-74-4
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PubChem CID
46782274
1 reference
matched by identifier from
InChIKey
InChIKey
WKUBFPPJDMDEFL-BMSJAHLVSA-N
UniChem compound ID
22958576
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30676035
1 reference
matched by identifier from
InChIKey
InChIKey
WKUBFPPJDMDEFL-BMSJAHLVSA-N
DSSTOX compound identifier
DTXCID00626784
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