Basic information
- CAS
392669-41-9- Standard SMILES
Cc1ccc2c(c1)oc[n+]2[O-]- InChIKey
NFNVCSMSYKMQNA-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767847
Names & identifiers
- Preferred name
- 6-Methyl-3-oxido-1,3-benzoxazol-3-ium
- IUPAC
- 6-methyl-3-oxido-1,3-benzoxazol-3-ium
- English name
- Benzoxazole, 6-methyl-, 3-oxide (9CI)
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
392669-41-96-methyl-3-oxido-1,3-benzoxazol-3-ium6-Methyl-1,3-benzoxazole 3-oxide6-methylbenzoxazol-3-olDTXSID30399414AKOS0243754536-Methyl-3-oxo-1,3lambda~5~-benzoxazoleST51016200Benzoxazole, 6-methyl-, 3-oxideBenzoxazole, 6-methyl-, 3-oxide (9CI)
Database identifiers
- CAS
392669-41-9- PubChem CID
- 4109369
- DTXSID
DTXSID30399414
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 267.9 · 267.9±33.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 0.24 · 0.24±0.30(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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