6H-[1,3]Dioxolo[4,5-f][1,2]benzoxazole
Basic information
- CAS
106253-12-7- Standard SMILES
c1noc2cc3c(cc12)OCO3- InChIKey
KJSISJFODOOKNG-UHFFFAOYSA-N- Molecular formula
- C8H5NO3
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.02694302
Names & identifiers
- Preferred name
- 6H-[1,3]Dioxolo[4,5-f][1,2]benzoxazole
- IUPAC
- [1,3]dioxolo[4,5-f][1,2]benzoxazole
- English name
- [1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI)
- Molecular formula
- C8H5NO3
- Molecular weight
- 163.13
Names & synonyms
106253-12-7[1,3]Dioxolo[4,5-f]-1,2-benzisoxazole(9CI)[1,3]Dioxolo[4',5':4,5]benzo[1,2-d]isoxazole[1,3]dioxolo[4,5-f][1,2]benzoxazole6H-[1,3]Dioxolo[4,5-f][1,2]benzoxazoleSCHEMBL9827235DTXSID30602970DB-290423
Database identifiers
- CAS
106253-12-7- PubChem CID
- 20147360
- DTXSID
DTXSID30602970
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 293.3 · 293.3±9.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- -1.7 · -1.70±0.20(Predicted)
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Compound notes
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