Malonate Ion
Basic information
- CAS
156-80-9- Standard SMILES
O=C([O-])CC(=O)[O-]- InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-L- Molecular formula
- C3H2O4-2
- Average molar mass
- 102.05 g/mol
- Monoisotopic mass
- 101.99530854
Overview
Malonate(2-) is a dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid. It has a role as a mitochondrial respiratory-chain inhibitor and a human metabolite. It is a conjugate base of a malonate(1-).
Names & identifiers
- Preferred name
- Malonate Ion
- IUPAC
- propanedioate
- English name
- propanedioate
- Molecular formula
- C3H2O4(-2)
- Molecular weight
- 102.05
Names & synonyms
MALONATE IONRefChem:800794Propanedioate156-80-9Malonate dianionMalonic acid, ion(2-)Propanedioic acid, ion(2-)Malonate ion(2-)4N2NU7R76Lmalonate(2-)CHEMBL359504BRN 3904386
Show more names
MalonateMalonic acid dianionPropanedioic acid,ion(2-)
maloSodium; MalonateMLIUNII-4N2NU7R76L1,3-dioxidopropane-1,3-dioneCHEBI:15792DTXSID10166020(-)OOC-CH2-COO(-)
Database identifiers
- CAS
156-80-9- PubChem CID
- 9084
- DTXSID
DTXSID10166020- ChEBI
CHEBI:15792- UNII
- 4N2NU7R76L
- Nikkaji
- J147.611D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- -2
- Complexity
- 72.1
Experimental & physicochemical properties
Dissociation Constants2.85 (at 25 °C)
Physicochemical properties
- FDA UNII
- 4 N2NU7R76L · 4N2NU7R76L
Chemistry & industry
Additional notes
DefinitionChEBI: A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid.
Related reactions
72 records
Compound notes
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