4,6-Dioxohept-2-enedioic acid
Basic information
- CAS
75164-75-9- Standard SMILES
O=C(O)C=CC(=O)CC(=O)C(=O)O- InChIKey
AZCFLHZUFANAOR-UHFFFAOYSA-N- Molecular formula
- C7H6O6
- Average molar mass
- 186.12 g/mol
- Monoisotopic mass
- 186.01643791
Names & identifiers
- Preferred name
- 4,6-Dioxohept-2-enedioic acid
- IUPAC
- 4,6-dioxohept-2-enedioic acid
Names & synonyms
4,6-dioxohept-2-enedioic acid75164-75-9DTXSID90331431CHEBI:47940RefChem:935756DTXCID40282525SCHEMBL23361428
Database identifiers
- CAS
75164-75-9- PubChem CID
- 439670
- DTXSID
DTXSID90331431
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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