2-Methyl-6-oxo-6H-1,2-oxazinium
Basic information
- CAS
102061-98-3- Standard SMILES
C[n+]1cccc(=O)o1- InChIKey
UUBLVBNZOODGHY-UHFFFAOYSA-N- Molecular formula
- C5H6NO2+
- Average molar mass
- 112.11 g/mol
- Monoisotopic mass
- 112.03985343
Names & identifiers
- Preferred name
- 2-Methyl-6-oxo-6H-1,2-oxazinium
- IUPAC
- 2-methyloxazin-2-ium-6-one
Names & synonyms
DTXSID3013032382-Methyl-6-oxo-6H-1,2-oxazinium2-Methyl-6-oxo-6H-1,2-oxazin-2-ium102061-98-3
Database identifiers
- CAS
102061-98-3- PubChem CID
- 85529199
- DTXSID
DTXSID301303238
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 1
- Complexity
- 169
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Compound notes
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