3-(4-Fluoro-2-hydroxy-phenyl)-acrylic acid methyl ester

HCID 66857693

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C=Cc1ccc(F)cc1O
InChIKey: PARAVCOLJKWJFO-UHFFFAOYSA-N
Molecular formula: C10H9FO3
Average molar mass: 196.17 g/mol

Names & identifiers

Preferred name: 3-(4-Fluoro-2-hydroxy-phenyl)-acrylic acid methyl ester
IUPAC: methyl 3-(4-fluoro-2-hydroxyphenyl)prop-2-enoate

Names & synonyms

SCHEMBL958847PARAVCOLJKWJFO-UHFFFAOYSA-N3-(4-fluoro-2-hydroxy-phenyl)-acrylic acid methyl ester

Database identifiers

PubChem CID: 66857693

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 227

Related reactions

8 records

New reaction record

HRID 137741As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 664242As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1042477As productuspto-grants-2013_10

HRID 1042478As reactantuspto-grants-2013_10

HRID 1042491As reactantuspto-grants-2013_10

HRID 1042494As reactantuspto-grants-2013_10

HRID 1141414As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1206925As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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