[1,3,2]Dioxaborino[5,4-d]-1,3,2-dioxaborin-4,8-dione, 2,6-dimethyl-
Basic information
- CAS
87841-11-0- Standard SMILES
CB1OC(=O)C2=C(O1)C(=O)OB(C)O2- InChIKey
JJMCXNRXIJTRTI-UHFFFAOYSA-N- Molecular formula
- C6H6B2O6
- Average molar mass
- 195.73 g/mol
- Monoisotopic mass
- 196.0350482
Names & identifiers
- Preferred name
- [1,3,2]Dioxaborino[5,4-d]-1,3,2-dioxaborin-4,8-dione, 2,6-dimethyl-
- IUPAC
- 2,6-dimethyl-[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinine-4,8-dione
Names & synonyms
87841-11-0[1,3,2]Dioxaborino[5,4-d]-1,3,2-dioxaborin-4,8-dione, 2,6-dimethyl-DTXSID80338494JJMCXNRXIJTRTI-UHFFFAOYSA-N.delta.-9-Octaline, 3,7-dibora-3,7-dimethyl-2,4,6,8-tetraoxa-1,5-dioxo-2,6-Dimethyl-2H,6H-[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinine-4,8-dione2,6-Dimethyl[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinine-4,8-dione #
Database identifiers
- CAS
87841-11-0- PubChem CID
- 549378
- DTXSID
DTXSID80338494
Properties
Computed structural properties
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 305
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Related reactions
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Compound notes
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