Basic information
- CAS
54769-21-0- Standard SMILES
CCOC(=O)C(C#N)=NOS(C)(=O)=O- InChIKey
YWOKHWQFDZLIOA-UHFFFAOYSA-N- Molecular formula
- C6H8N2O5S
- Average molar mass
- 220.21 g/mol
- Monoisotopic mass
- 220.01539236
Names & identifiers
- Preferred name
- Ethyl cyano{[(methanesulfonyl)oxy]imino}acetate
- IUPAC
- ethyl 2-cyano-2-methylsulfonyloxyiminoacetate
Names & synonyms
54769-21-0Ethyl cyano{[(methanesulfonyl)oxy]imino}acetateSCHEMBL11448888DTXSID10711998YWOKHWQFDZLIOA-UHFFFAOYSA-Nethyl 2-methanesulfonyloxyimino-2-cyanoacetateethyl 2-methane-sulfonyloxyimino-2-cyanoacetate
Database identifiers
- CAS
54769-21-0- PubChem CID
- 54531055
- DTXSID
DTXSID10711998
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 382
Related reactions
16 records
Compound notes
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