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(Q82521237)
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English
Dimethyl 4-cyano-4-(2-fluorophenyl)heptanedioate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
307.1219862759999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₈FNO₄
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canonical SMILES
COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC=CC=C1F
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Identifiers
InChI
InChI=1S/C16H18FNO4/c1-21-14(19)7-9-16(11-18,10-8-15(20)22-2)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3
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InChIKey
YFXINTFBSRXUAT-UHFFFAOYSA-N
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CAS Registry Number
179064-47-2
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PubChem CID
21834548
1 reference
matched by identifier from
InChIKey
InChIKey
YFXINTFBSRXUAT-UHFFFAOYSA-N
UniChem compound ID
25727372
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10618630
1 reference
matched by identifier from
InChIKey
InChIKey
YFXINTFBSRXUAT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00569384
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