Basic information
- CAS
120483-03-6- Standard SMILES
Cc1cc(=O)oc2nc3oc4ccccc4c3cc12- InChIKey
CIBVEEUBFJRZMN-UHFFFAOYSA-N- Molecular formula
- C15H9NO3
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.05824315
Names & identifiers
- Preferred name
- 4-Methyl-4',5'-benzo-8-azapsoralen
- IUPAC
- 7-methyl-4,17-dioxa-2-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11,13,15-heptaen-5-one
Names & synonyms
4-Methyl-4',5'-benzo-8-azapsoralen120483-03-6DTXSID201528784-Methyl-2H-[1]benzofuro[2,3-b]pyrano[3,2-e]pyridin-2-one
Database identifiers
- CAS
120483-03-6- PubChem CID
- 147495
- DTXSID
DTXSID20152878
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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