Basic information
- CAS
126-20-5- Standard SMILES
O=C([O-])CC1(CC(=O)[O-])OCOC1=O.[Na+].[Na+]- InChIKey
HGXYMHQZIAWNKI-UHFFFAOYSA-L- Molecular formula
- C7H6Na2O7
- Average molar mass
- 248.1 g/mol
- Monoisotopic mass
- 247.99089109
Overview
RN given refers to di-Na salt; structure given in first source
Names & identifiers
- Preferred name
- Methylenecitric acid
- IUPAC
- disodium;2-[4-(carboxylatomethyl)-5-oxo-1,3-dioxolan-4-yl]acetate
Names & synonyms
Methylenecitric acidDTXSID10155035RefChem:158193DTXCID40775264-oxo-1,3-dioxolane-5,5'-diacetic acid126-20-5Disodium 5-oxo-1,3-dioxolan-4-ylidenedi(acetate)EINECS 204-777-9disodium 2,2'-(5-oxo-1,3-dioxolane-4,4-diyl)diacetateSCHEMBL29965149methylene citric acid sodium saltQ15632712
Database identifiers
- CAS
126-20-5- PubChem CID
- 67407
- DTXSID
DTXSID10155035- EC Number
- 204-777-9
- Nikkaji
- J5.384H
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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