2-(Oxan-2-yloxy)isoindole-1,3-dione
Basic information
- CAS
6584-60-7- Standard SMILES
O=C1c2ccccc2C(=O)N1OC1CCCCO1- InChIKey
HCTSKKKGJQTHDG-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- 2-(Oxan-2-yloxy)isoindole-1,3-dione
- IUPAC
- 2-(oxan-2-yloxy)isoindole-1,3-dione
- English name
- 2-(oxan-2-yloxy)isoindole-1,3-dione
- Molecular formula
- C13H13NO4
- Molecular weight
- 247.25
Names & synonyms
2-(oxan-2-yloxy)isoindole-1,3-dione6584-60-7DTXSID30302524RefChem:254481DTXCID802536582-(2-oxanyloxy)isoindole-1,3-dioneNSC151764SCHEMBL1537490HCTSKKKGJQTHDG-UHFFFAOYSA-NNSC-1517642-[(Oxan-2-yl)oxy]-1H-isoindole-1,3(2H)-dione2-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ISOINDOLINE-1,3-DIONE
Show more names
2-((tetrahydro-2H-pyran-2-yl)oxy)isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-[(tetrahydro-2H-pyran-2-yl)oxy]-
Database identifiers
- CAS
6584-60-7- PubChem CID
- 289587
- DTXSID
DTXSID30302524- Nikkaji
- J3.708.731I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 123 °C · 123 °C
- Boiling point
- 398.3 · 398.3±52.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
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Related reactions
1 records
Compound notes
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