3-Phenyloxirane-2,2,3-tricarbonitrile
Basic information
- CAS
3041-51-8- Standard SMILES
N#CC1(C#N)OC1(C#N)c1ccccc1- InChIKey
XTFKXUBRIIEBCW-UHFFFAOYSA-N- Molecular formula
- C11H5N3O
- Average molar mass
- 195.18 g/mol
- Monoisotopic mass
- 195.04326179
Names & identifiers
- Preferred name
- 3-Phenyloxirane-2,2,3-tricarbonitrile
- IUPAC
- 3-phenyloxirane-2,2,3-tricarbonitrile
Names & synonyms
3041-51-83-phenyloxirane-2,2,3-tricarbonitrileNSC142327DTXSID80301320NSC-142327
Database identifiers
- CAS
3041-51-8- PubChem CID
- 285443
- DTXSID
DTXSID80301320
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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