Ethyl 3-(4-cyanophenyl)prop-2-enoate

HCID 367207

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)C=Cc1ccc(C#N)cc1
InChIKey: NVLBOCIUMFYPGI-UHFFFAOYSA-N
Molecular formula: C12H11NO2
Average molar mass: 201.22 g/mol

Names & identifiers

Preferred name: Ethyl 3-(4-cyanophenyl)prop-2-enoate
IUPAC: ethyl 3-(4-cyanophenyl)prop-2-enoate

Names & synonyms

ethyl 3-(4-cyanophenyl)prop-2-enoate20655-58-74-Cyanocinnamic Acid Ethyl EsterMFCD09038523SCHEMBL2244754NVLBOCIUMFYPGI-UHFFFAOYSA-NAKOS0302300433-(4-Cyanophenyl)acrylic acid ethyl esterE0677

Database identifiers

PubChem CID: 367207

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 279

Related reactions

6 records

New reaction record

HRID 210642As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 823020As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 833688As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 899112As productuspto-grants-2008_04

HRID 899113As reactantuspto-grants-2008_04

HRID 2324601As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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