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(Q82236784)
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English
4-{[(5-METHYL-2-THIENYL)METHYL]AMINO}BENZOIC 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
247.3144
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₃NO₂S
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canonical SMILES
CC1=CC=C(S1)CNC2=CC=C(C=C2)C(=O)O
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Identifiers
InChI
InChI=1S/C13H13NO2S/c1-9-2-7-12(17-9)8-14-11-5-3-10(4-6-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16)
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InChIKey
OSBRIKZHHXMJMT-UHFFFAOYSA-N
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CAS Registry Number
805994-90-5
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PubChem CID
6473260
1 reference
matched by identifier from
InChIKey
InChIKey
OSBRIKZHHXMJMT-UHFFFAOYSA-N
UniChem compound ID
23122110
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10424273
1 reference
matched by identifier from
InChIKey
InChIKey
OSBRIKZHHXMJMT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80375107
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