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(Q63396229)
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English
(E)-3-(2,4-dimethoxyphenyl)prop-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
208.073558864
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₂O₄
0 references
canonical SMILES
COc1ccc(/C=C/C(=O)O)c(OC)c1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COC1=CC(=C(C=C1)/C=C/C(=O)O)OC
0 references
Identifiers
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
0 references
InChIKey
YIKHDPHTFYWYJV-GQCTYLIASA-N
0 references
CAS Registry Number
16909-09-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
734009
1 reference
matched by identifier from
InChIKey
InChIKey
YIKHDPHTFYWYJV-GQCTYLIASA-N
ChEBI ID
231292
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
SureChEMBL ID
SCHEMBL79457
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YIKHDPHTFYWYJV-GQCTYLIASA-N
UniChem compound ID
23944015
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP010580
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP011244
0 references
NMRShiftDB structure ID
20040373
1 reference
matched by identifier from
InChIKey
InChIKey
YIKHDPHTFYWYJV-GQCTYLIASA-N
DSSTox substance ID
DTXSID901251243
1 reference
matched by identifier from
InChIKey
InChIKey
YIKHDPHTFYWYJV-GQCTYLIASA-N
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