6-Methoxy-7,8,9,10-tetrahydro-6h-[1,2,5]oxadiazolo[3,4-c]carbazol-3-ium-3-olate
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Basic information
- CAS
255865-30-6- Standard SMILES
COn1c2c(c3c4no[n+]([O-])c4ccc31)CCCC2- InChIKey
GQRMTBQMVATMLA-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 6-Methoxy-7,8,9,10-tetrahydro-6h-[1,2,5]oxadiazolo[3,4-c]carbazol-3-ium-3-olate
- IUPAC
- 6-methoxy-3-oxido-7,8,9,10-tetrahydro-[1,2,5]oxadiazolo[3,4-c]carbazol-3-ium
- English name
- 6-METHOXY-7,8,9,10-TETRAHYDRO-6H-[1,2,5]OXADIAZOLO[3,4-C]CARBAZOL-3-IUM-3-OLATE
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
Names & synonyms
255865-30-66-methoxy-7,8,9,10-tetrahydro-6h-[1,2,5]oxadiazolo[3,4-c]carbazol-3-ium-3-olate6-methoxy-3-oxido-7,8,9,10-tetrahydro-[1,2,5]oxadiazolo[3,4-c]carbazol-3-ium6-methoxy-7,8,9,10-tetrahydro-6H-[1,2,5]oxadiazolo[3,4-c]carbazole 3-oxideHMS2487N09SMR000137327MLS000532369CHEMBL1599526DTXSID60353024STL321819AKOS022114788DB-026402
Show more names
6-METHOXY-7,8,9,10-TETRAHYDRO-6H-1,2 5-OXADIAZOLO[3 4-C]CARBAZOLE-3-OXIDE6H-[1,2,5]Oxadiazolo[3,4-c]carbazole, 7,8,9,10-tetrahydro-6-methoxy-, 3-oxide
SR-01000201331SR-01000201331-16-Methoxy-3-oxo-7,8,9,10-tetrahydro-6H-3lambda~5~-[1,2,5]oxadiazolo[3,4-c]carbazole
Database identifiers
- CAS
255865-30-6- PubChem CID
- 736436
- DTXSID
DTXSID60353024- ChEMBL
CHEMBL1599526
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 179 · 179-180
- Boiling point
- 457.8 · 457.8±55.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 1.45 · 1.45±0.20(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_note
- Irritant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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