2-Propenoic acid, 3-ethoxy-

HCID 339145

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC=CC(=O)O
InChIKey: SYMAGJYJMLUEQE-UHFFFAOYSA-N
Molecular formula: C5H8O3
Average molar mass: 116.11 g/mol

Names & identifiers

Preferred name: 2-Propenoic acid, 3-ethoxy-
IUPAC: 3-ethoxyprop-2-enoic acid

Names & synonyms

2-Propenoic acid, 3-ethoxy-3-ethoxyacryloic acid3-Ethoxy-acrylic acidSCHEMBL278041SCHEMBL3259304SCHEMBL10335471SYMAGJYJMLUEQE-UHFFFAOYSA-NAKOS025244088DB-006423

Database identifiers

PubChem CID: 339145

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 95.8

Related reactions

4 records

New reaction record

HRID 90717As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104210As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 152148As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 677008As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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