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Ethyl 3-(3,4-difluoro-5-hydroxyphenyl)prop-2-enoate

HCID 76548871
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C=Cc1cc(O)c(F)c(F)c1
InChIKey
SDUJKWAEGPCIRB-UHFFFAOYSA-N
Molecular formula
C11H10F2O3
Average molar mass
228.19 g/mol

Names & identifiers

Preferred name
Ethyl 3-(3,4-difluoro-5-hydroxyphenyl)prop-2-enoate
IUPAC
ethyl 3-(3,4-difluoro-5-hydroxyphenyl)prop-2-enoate

Database identifiers

PubChem CID
76548871

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
268

Related reactions

2 records
New reaction record
HRID 140943 reaction equation
HRID 140943As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2156377 reaction equation
HRID 2156377As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes