Basic information
- CAS
1391193-53-5- Standard SMILES
COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(O)ccc12- InChIKey
RZELENUVHIICLJ-UHFFFAOYSA-O- Molecular formula
- C23H20NO4+
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13923312
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium
- IUPAC
- [6-hydroxy-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium
Names & synonyms
DTXSID7013849313-(Dimethylamino)-6-hydroxy-9-[2-(methoxycarbonyl)phenyl]xanthylium1391193-53-5
Database identifiers
- CAS
1391193-53-5- PubChem CID
- 80913
- DTXSID
DTXSID701384931
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 1
- Complexity
- 771
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…