Basic information
- CAS
17272-66-1- Standard SMILES
CC(=O)/C=C(/C)[O-]- InChIKey
POILWHVDKZOXJZ-ARJAWSKDSA-M- Molecular formula
- C5H7O2-
- Average molar mass
- 99.11 g/mol
Overview
Acetylacetonate is a diketone. It is a conjugate base of an acetylacetone.
Names & identifiers
- Preferred name
- Acetylacetonate
- IUPAC
- (Z)-4-oxopent-2-en-2-olate
Names & synonyms
AcetylacetonateAcetyl acetonate2,4-Pentanedione, ion(1-)(Z)-4-oxopent-2-en-2-olate2,4-dioxopentan-3-ide17272-66-1CHEBI:30395POILWHVDKZOXJZ-ARJAWSKDSA-M
Database identifiers
- CAS
17272-66-1- PubChem CID
- 5460482
- ChEBI
CHEBI:30395- Nikkaji
- J313.966B、J863.065H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- -1
- Complexity
- 90.4
Related reactions
12 records
Compound notes
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