Basic information
- CAS
65898-29-5- Standard SMILES
O=C1CCC(NC2OC(=O)c3ccccc32)C(=O)O1- InChIKey
NNJDQBBPQOZMKB-UHFFFAOYSA-N- Molecular formula
- C13H11NO5
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.06372245
Names & identifiers
- Preferred name
- 3-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dione
- IUPAC
- 3-[(3-oxo-1H-2-benzofuran-1-yl)amino]oxane-2,6-dione
Names & synonyms
65898-29-53-((3-Oxo-1,3-dihydroisobenzofuran-1-yl)amino)dihydro-2H-pyran-2,6(3H)-dioneNSC316166DTXSID703174753-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]oxane-2,6-dioneNSC-316166
Database identifiers
- CAS
65898-29-5- PubChem CID
- 330136
- DTXSID
DTXSID70317475
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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