Basic information
- CAS
63989-85-5- Standard SMILES
C1COCC[NH2+]1.Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]- InChIKey
SHEKSEUTQGXGIA-UHFFFAOYSA-N- Molecular formula
- C11H15N3O6
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.09608521
Names & identifiers
- Preferred name
- o-Cresol, 4,6-dinitro-, morpholine (1:1)
- IUPAC
- 2-methyl-4,6-dinitrophenolate;morpholin-4-ium
Names & synonyms
4,6-Dinitro-o-cresol morpholine (1:1)o-CRESOL, 4,6-DINITRO-, MORPHOLINE (1:1)63989-85-5DTXSID90213925RefChem:366399DTXCID20136416Morpholin-4-ium 2-methyl-4,6-dinitrophenolate
Database identifiers
- CAS
63989-85-5- PubChem CID
- 46159
- DTXSID
DTXSID90213925
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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