Ethyl 3-phenoxyprop-2-enoate

HCID 237844

Notes Reactions

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Basic information

CAS: 43013-70-3
Standard SMILES: CCOC(=O)C=COc1ccccc1
InChIKey: JHAFBMLPNYJGAY-UHFFFAOYSA-N
Molecular formula: C11H12O3
Average molar mass: 192.21 g/mol
Monoisotopic mass: 192.07864424

Names & identifiers

Preferred name: Ethyl 3-phenoxyprop-2-enoate
IUPAC: ethyl 3-phenoxyprop-2-enoate

Names & synonyms

ethyl 3-phenoxyprop-2-enoate43013-70-3ethyl 3-phenoxy-2-propenoateSCHEMBL1552971DTXSID70285423JHAFBMLPNYJGAY-UHFFFAOYSA-N

Database identifiers

CAS: 43013-70-3
PubChem CID: 237844
DTXSID: DTXSID70285423

Properties

Computed structural propertiesFilling in

XLogP: 2.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 193

Experimental & physicochemical properties

LogP3.18

Related reactions

3 records

New reaction record

HRID 184685 reaction equation

HRID 184685As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2049834 reaction equation

HRID 2049834As productuspto-grants-1980_04

HRID 2049835 reaction equation

HRID 2049835As reactantuspto-grants-1980_04

Compound notes

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