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(Q82132196)
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English
5-[(3-methylphenyl)amino]-5-oxopentanoic acid
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
221.10519334
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₅NO₃
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canonical SMILES
CC1=CC(=CC=C1)NC(=O)CCCC(=O)O
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Identifiers
InChI
InChI=1S/C12H15NO3/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-12(15)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,14)(H,15,16)
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InChIKey
MPKHVCFQBHNIHB-UHFFFAOYSA-N
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CAS Registry Number
71195-70-5
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PubChem CID
766066
1 reference
matched by identifier from
InChIKey
InChIKey
MPKHVCFQBHNIHB-UHFFFAOYSA-N
UniChem compound ID
22865587
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40354190
1 reference
matched by identifier from
InChIKey
InChIKey
MPKHVCFQBHNIHB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70305251
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