Cyclobutyne
Basic information
- CAS
1191-94-2- Standard SMILES
C1#CCC1- InChIKey
DRFGMUMDUXDALH-UHFFFAOYSA-N- Molecular formula
- C4H4
- Average molar mass
- 52.07 g/mol
- Monoisotopic mass
- 52.03130013
Names & identifiers
- Preferred name
- Cyclobutyne
- IUPAC
- cyclobutyne
Names & synonyms
Cyclobutyne1191-94-2DTXSID80602147RefChem:129408DTXCID10552904SCHEMBL166940SCHEMBL318855SCHEMBL3438320SCHEMBL3825401Q5198678
Database identifiers
- CAS
1191-94-2- PubChem CID
- 20072734
- DTXSID
DTXSID80602147- Nikkaji
- J632.669B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 60.5
Experimental & physicochemical properties
SpringerMaterials PropertiesAtomic environment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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