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Ethyl 3-(4-fluorophenyl)pentenoate (HCID 54034845)|Huagongshe
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Compound
Ethyl 3-(4-fluorophenyl)pentenoate
HCID
54034845
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)C=C(CC)c1ccc(F)cc1
InChIKey
LIESXIWYGNKJIV-UHFFFAOYSA-N
Molecular formula
C13H15FO2
Average molar mass
222.25 g/mol
Names & identifiers
Preferred name
Ethyl 3-(4-fluorophenyl)pentenoate
IUPAC
ethyl 3-(4-fluorophenyl)pent-2-enoate
Names & synonyms
SCHEMBL7565431
LIESXIWYGNKJIV-UHFFFAOYSA-N
ethyl 3-(4-fluorophenyl)pentenoate
Database identifiers
PubChem CID
54034845
Properties
Computed structural properties
XLogP
3.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
253
Show all 8
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
362872
As product
uspto-grants-1999_02
HRID
362873
As reactant
uspto-grants-1999_02
HRID
688921
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1954918
As product
uspto-grants-2000_09
HRID
1954919
As reactant
uspto-grants-2000_09
HRID
2338700
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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Compound notes
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