Basic information
- CAS
120482-96-4- Standard SMILES
Cc1coc2cc3oc(=O)nc(C)c3cc12- InChIKey
UXUDKHXAGSUSEQ-UHFFFAOYSA-N- Molecular formula
- C12H9NO3
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.05824315
Names & identifiers
- Preferred name
- 4,4'-Dimethylazapsoralen
- IUPAC
- 4,6-dimethylfuro[3,2-g][1,3]benzoxazin-2-one
Names & synonyms
4,4'-Dimethylazapsoralen120482-96-4DTXSID001528764,6-Dimethyl-2H-furo[3,2-g][1,3]benzoxazin-2-one
Database identifiers
- CAS
120482-96-4- PubChem CID
- 147487
- DTXSID
DTXSID00152876
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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