4-Hydroxy-2-butynal

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Basic information

CAS: 50560-69-5
Standard SMILES: O=CC#CCO
InChIKey: QAPQYLWHUDXNHY-UHFFFAOYSA-N
Molecular formula: C4H4O2
Average molar mass: 84.07 g/mol
Monoisotopic mass: 84.02112937

Overview

4-hydroxybut-2-ynal is a ynal.

Names & identifiers

Preferred name: 4-Hydroxy-2-butynal
IUPAC: 4-hydroxybut-2-ynal

Names & synonyms

4-hydroxybut-2-ynal4-Hydroxy-2-butynal50560-69-5CHEBI:16711DTXSID501315700RefChem:99149DTXCID701745593C02648SCHEMBL2931955SCHEMBL15550077EN300-152311Q27102037

Database identifiers

CAS: 50560-69-5
PubChem CID: 439778
DTXSID: DTXSID501315700
ChEBI: CHEBI:16711
Nikkaji: J2.739.319E

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 92.6

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Compound notes

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