Basic information
- CAS
49722-76-1- Standard SMILES
Cc1ccc2nc(C)cc(C)c2c1.O=S(=O)(O)O- InChIKey
QMNFBWQRLPNYCZ-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- Sulfuric acid;2,4,6-trimethylquinoline
- IUPAC
- sulfuric acid;2,4,6-trimethylquinoline
Names & synonyms
49722-76-1NSC73479DTXSID20964372NSC-73479Sulfuric acid--2,4,6-trimethylquinoline (1/1)
Database identifiers
- CAS
49722-76-1- PubChem CID
- 252151
- DTXSID
DTXSID20964372
Properties
Computed structural properties
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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