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(Q72512284)
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English
trans-3-(2-Trifluoromethylphenyl)acrylic acid
chemical compound
(E)-3-(2-Trifluoromethylphenyl)-2-propenoic acid
trans-3-(2-Trifluoromethylphenyl)-2-propenoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
216.039814124
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₇F₃O₂
0 references
canonical SMILES
O=C(O)/C=C/c1ccccc1C(F)(F)F
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
O=C(O)/C=C/c1ccccc1C(F)(F)F
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
0 references
InChIKey
AMVYAIXPAGBXOM-AATRIKPKSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
98386-81-3
0 references
PubChem CID
719625
1 reference
matched by identifier from
InChIKey
InChIKey
AMVYAIXPAGBXOM-AATRIKPKSA-N
ChEBI ID
60703
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
SureChEMBL ID
SCHEMBL82266
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AMVYAIXPAGBXOM-AATRIKPKSA-N
NMRShiftDB structure ID
20212876
1 reference
matched by identifier from
InChIKey
InChIKey
AMVYAIXPAGBXOM-AATRIKPKSA-N
DSSTox substance ID
DTXSID201031323
1 reference
matched by identifier from
InChIKey
InChIKey
AMVYAIXPAGBXOM-AATRIKPKSA-N
UNII
79PJG9RJG3
1 reference
matched by identifier from
InChIKey
InChIKey
AMVYAIXPAGBXOM-AATRIKPKSA-N
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