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(Q82610515)
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English
Methyl 4-(4-cyano-3-hydroxyphenyl)thiophene-2-carboxylate
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
259.030314148
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₉NO₃S
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canonical SMILES
COC(=O)C1=CC(=CS1)C2=CC(=C(C=C2)C#N)O
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Identifiers
InChI
InChI=1S/C13H9NO3S/c1-17-13(16)12-5-10(7-18-12)8-2-3-9(6-14)11(15)4-8/h2-5,7,15H,1H3
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InChIKey
DJDQDJZAGRKNIG-UHFFFAOYSA-N
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CAS Registry Number
1261929-45-6
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PubChem CID
53220105
1 reference
matched by identifier from
InChIKey
InChIKey
DJDQDJZAGRKNIG-UHFFFAOYSA-N
UniChem compound ID
20185419
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70684876
1 reference
matched by identifier from
InChIKey
InChIKey
DJDQDJZAGRKNIG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10635625
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