Basic information
- CAS
93215-63-5- Standard SMILES
[2H]C([2H])([2H])C#CC#N- InChIKey
WNXDCVVDPKHWMW-FIBGUPNXSA-N- Molecular formula
- C4H3N
- Average molar mass
- 68.09 g/mol
- Monoisotopic mass
- 68.04537934
Names & identifiers
- Preferred name
- 2-Butynonitrile-d3
- IUPAC
- 4,4,4-trideuteriobut-2-ynenitrile
Names & synonyms
2-Butynonitrile-d393215-63-5(~2~H_3_)But-2-ynenitrileDTXSID70239340
Database identifiers
- CAS
93215-63-5- PubChem CID
- 145265
- DTXSID
DTXSID70239340
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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