Basic information
- CAS
7702-87-6- Standard SMILES
CCOC(=O)/C(Cc1cc[n+]([O-])cc1)=N/O- InChIKey
QLLKTGFWCJQIHM-PKNBQFBNSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate
- IUPAC
- ethyl (2E)-2-hydroxyimino-3-(1-oxidopyridin-1-ium-4-yl)propanoate
Names & synonyms
NSC405970NSC-405970
Database identifiers
- CAS
7702-87-6- PubChem CID
- 6399298
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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