Basic information
- CAS
1266987-33-0- Standard SMILES
Cc1cc(C)c2ocnc2c1- InChIKey
XQJQKADNDFGUPY-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
Names & identifiers
- Preferred name
- 5,7-Dimethyl-1,3-benzoxazole
- IUPAC
- 5,7-dimethyl-1,3-benzoxazole
- English name
- 5,7-Dimethylbenzoxazole
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
SCHEMBL6108365SCHEMBL7976059AKOS0224682135,7-Dimethylbenzoxazole
Database identifiers
- CAS
1266987-33-0- Nikkaji
- J182.543G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 228.2 · 228.2±9.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 3.29 · 3.29±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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