Basic information
- CAS
44196-71-6- Standard SMILES
C#CC(=O)[O-]- InChIKey
UORVCLMRJXCDCP-UHFFFAOYSA-M- Molecular formula
- C3HO2-
- Average molar mass
- 69.04 g/mol
- Monoisotopic mass
- 68.99765427
Overview
Propynoate is an acetylenic fatty acid anion and the conjugate base of propynoic acid, arising from deprotonation of the carboxylic acid group. It is a monocarboxylic acid anion, a short-chain fatty acid anion and an acetylenic fatty acid anion. It is a conjugate base of a propynoic acid.
Names & identifiers
- Preferred name
- 2-Propynoic acid, ion(1-)
- IUPAC
- prop-2-ynoate
Names & synonyms
2-Propynoic acid, ion(1-)44196-71-6RefChem:266509Propynoateprop-2-ynoatepropiolateAcetylenemonocarboxylatePropiolatacetylene monocarboxylic acidCHEBI:15364DTXSID201312121Q27089401
Database identifiers
- CAS
44196-71-6- PubChem CID
- 5459765
- DTXSID
DTXSID201312121- ChEBI
CHEBI:15364- Nikkaji
- J2.265.325C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- -1
- Complexity
- 78.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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