A 740
Basic information
- CAS
25900-68-9- Standard SMILES
CN(C)C(=O)O/N=C(/C#N)c1ccccc1- InChIKey
OLJIJBWFHVOPFH-RAXLEYEMSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- A 740
- IUPAC
- [(E)-[cyano(phenyl)methylidene]amino] N,N-dimethylcarbamate
Names & synonyms
Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145A 740A-740Phenyl-O-(dimethylcarbamoyl)oxime glyoxylonitrile25900-68-9RefChem:313802[(E)-[cyano(phenyl)methylidene]amino] N,N-dimethylcarbamate
Database identifiers
- CAS
25900-68-9- PubChem CID
- 9577973
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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