Basic information
- CAS
6951-22-0- Standard SMILES
[O-]c1c[n+](CCCC[n+]2cc([O-])on2)no1- InChIKey
VQGVXYMXWMPEBD-UHFFFAOYSA-N- Molecular formula
- C8H10N4O4
- Average molar mass
- 226.19 g/mol
- Monoisotopic mass
- 226.07020481
Names & identifiers
- Preferred name
- Sydnone,3'-tetramethylenedi-
- IUPAC
- 3-[4-(5-oxidooxadiazol-3-ium-3-yl)butyl]oxadiazol-3-ium-5-olate
- English name
- 3,3'-(Butane-1,4-diyl)bissydnone
- Molecular weight
- 0
Names & synonyms
NSC54672NSC-546726951-22-0Sydnone,3'-tetramethylenedi-CHEMBL1991591SCHEMBL117648023,3'-(Butane-1,4-diyl)bissydnone
Database identifiers
- CAS
6951-22-0- PubChem CID
- 543701
- ChEMBL
CHEMBL1991591- Nikkaji
- J146.740I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…