Propiolic acid, allyl ester

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Basic information

CAS: 14447-00-8
Standard SMILES: C#CC(=O)OCC=C
InChIKey: UYEIEPSGKUVQPP-UHFFFAOYSA-N
Molecular formula: C6H6O2
Average molar mass: 110.11 g/mol
Monoisotopic mass: 110.03677943

Names & identifiers

Preferred name: Propiolic acid, allyl ester
IUPAC: prop-2-enyl prop-2-ynoate

Names & synonyms

Propiolic acid, allyl esterallyl propiolateallyl propynoate14447-00-82-Propynoic acid, 2-propenyl esterAcetylenecarboxylic acid, allyl esterGN2NZ8SFV1NSC-245497Propiolic acid, allyl ester (8CI)Propynoic acid allyl esterprop-2-en-1-yl prop-2-ynoateNSC 245497

Show more names

UNII-GN2NZ8SFV1WLN: 1UU1VO2U1prop-2-ynoic acid allyl esterSCHEMBL1288180DTXSID00162713UYEIEPSGKUVQPP-UHFFFAOYSA-NNSC2454972-PROPYNOIC ACID, 2-PROPEN-1-YL ESTER

Database identifiers

CAS: 14447-00-8
PubChem CID: 84443
DTXSID: DTXSID00162713
UNII: GN2NZ8SFV1
Nikkaji: J471.574H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 138

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Related reactions

1 records

New reaction record

HRID 256100As reactantuspto-grants-1987_10

Compound notes

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