Basic information
- CAS
120482-99-7- Standard SMILES
Cc1oc2cc3c(cc2c1C)C(C)N(C)C(=O)O3- InChIKey
FDNHJZPSJQKHHI-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- 3,4,4',5'-Tetramethylazapsoralen
- IUPAC
- 3,4,6,7-tetramethyl-4H-furo[3,2-g][1,3]benzoxazin-2-one
Names & synonyms
120482-99-73,4,4',5'-TetramethylazapsoralenDTXSID109234383,4,6,7-Tetramethyl-3,4-dihydro-2H-furo[3,2-g][1,3]benzoxazin-2-one
Database identifiers
- CAS
120482-99-7- PubChem CID
- 147489
- DTXSID
DTXSID10923438
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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