2,4,6-Triethylbenzene-1,3-dicarbonitrile oxide
Basic information
- CAS
135779-01-0- Standard SMILES
CCc1cc(CC)c(C#[N+][O-])c(CC)c1C#[N+][O-]- InChIKey
YHVONUJRRJSXSP-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 2,4,6-Triethylbenzene-1,3-dicarbonitrile oxide
- IUPAC
- 2,4,6-triethylbenzene-1,3-dicarbonitrile oxide
Names & synonyms
135779-01-01,3-Benzenediacetonitrile, 2,4,6-triethyl-, N1,N3-dioxide2,4,6-triethylbenzene-1,3-dicarbonitrile oxideCBDivE_000327SCHEMBL1924276DTXSID601195965AKOS024326400ST504496752,4,6-Triethylbenzene-1,3-dicarbonitrile 1,3-dioxide
Database identifiers
- CAS
135779-01-0- PubChem CID
- 4675433
- DTXSID
DTXSID601195965
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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