Basic information
- CAS
120482-94-2- Standard SMILES
Cc1coc2cc3oc(=O)ncc3cc12- InChIKey
WNWOOVDMWVQDPB-UHFFFAOYSA-N- Molecular formula
- C11H7NO3
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.04259309
Names & identifiers
- Preferred name
- 4'-Methylazapsoralen
- IUPAC
- 6-methylfuro[3,2-g][1,3]benzoxazin-2-one
Names & synonyms
4'-Methylazapsoralen120482-94-24-Methyl-8-azapsoralenDTXSID801528746-Methyl-2H-furo[3,2-g][1,3]benzoxazin-2-one
Database identifiers
- CAS
120482-94-2- PubChem CID
- 147485
- DTXSID
DTXSID80152874
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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