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(Q76386958)
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English
(E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
236.068473484
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₂O₅
0 references
canonical SMILES
COc1ccc(C(=O)/C=C/C(=O)O)cc1OC
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COC1=C(C=C(C=C1)C(=O)/C=C/C(=O)O)OC
0 references
Identifiers
InChI
InChI=1S/C12H12O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-4+
0 references
InChIKey
QUWWWXPLUJFEHM-GQCTYLIASA-N
0 references
CAS Registry Number
80937-23-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
6444386
1 reference
matched by identifier from
InChIKey
InChIKey
QUWWWXPLUJFEHM-GQCTYLIASA-N
UniChem compound ID
33670939
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101230518
1 reference
matched by identifier from
InChIKey
InChIKey
QUWWWXPLUJFEHM-GQCTYLIASA-N
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