Basic information
- CAS
111669-60-4- Standard SMILES
Nc1ccccc1Oc1ccc2c3c(cccc13)C(=O)OC2=O- InChIKey
MKHACOBQANJGRZ-UHFFFAOYSA-N- Molecular formula
- C18H11NO4
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 305.06880783
Names & identifiers
- Preferred name
- 6-(2-Aminophenoxy)-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
- IUPAC
- 8-(2-aminophenoxy)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Names & synonyms
111669-60-4SCHEMBL16684611SCHEMBL305574006-(2-Aminophenoxy)-1H,3H-naphtho[1,8-cd]pyran-1,3-dioneDTXSID701206030AG-205/327120196-(2-aminophenoxy)-1H,3H-benzo[de]isochromene-1,3-dione
Database identifiers
- CAS
111669-60-4- PubChem CID
- 14264331
- DTXSID
DTXSID701206030
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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