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(Q82020098)
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English
(acetylamino)[3-(2,4-difluorophenyl)-3-oxopropyl]propanedioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
329.07109357599995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₃F₂NO₆
0 references
canonical SMILES
CC(=O)NC(CCC(=O)C1=C(C=C(C=C1)F)F)(C(=O)O)C(=O)O
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Identifiers
InChI
InChI=1S/C14H13F2NO6/c1-7(18)17-14(12(20)21,13(22)23)5-4-11(19)9-3-2-8(15)6-10(9)16/h2-3,6H,4-5H2,1H3,(H,17,18)(H,20,21)(H,22,23)
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InChIKey
DBIIFCRIVCQGFA-UHFFFAOYSA-N
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CAS Registry Number
6010-06-6
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PubChem CID
236829
1 reference
matched by identifier from
InChIKey
InChIKey
DBIIFCRIVCQGFA-UHFFFAOYSA-N
UniChem compound ID
65985069
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30284917
1 reference
matched by identifier from
InChIKey
InChIKey
DBIIFCRIVCQGFA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40236068
0 references
NSC number
39827
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