Basic information
- CAS
64517-78-8- Standard SMILES
O=c1oc2ccccc2c2onc(-c3ccccc3)c12- InChIKey
HVXKIZKXWKOTDJ-UHFFFAOYSA-N- Molecular formula
- C16H9NO3
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.05824315
Names & identifiers
- Preferred name
- 3-phenyl-4H-chromeno[3,4-d]isoxazol-4-one
- IUPAC
- 3-phenylchromeno[3,4-d][1,2]oxazol-4-one
Names & synonyms
3-phenyl-4H-chromeno[3,4-d]isoxazol-4-one64517-78-8DTXSID104951803-phenyl-chromeno[3,4-d]isoxazol-4-one3-Phenyl-4H-[1]benzopyrano[3,4-d][1,2]oxazol-4-one
Database identifiers
- CAS
64517-78-8- PubChem CID
- 12377425
- DTXSID
DTXSID10495180- Nikkaji
- J314.835A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…