Basic information
- CAS
99417-54-6- Standard SMILES
C1=C=C=C=1- InChIKey
ZJRINDVWMDPKLP-UHFFFAOYSA-N- Molecular formula
- C4
- Average molar mass
- 48.04 g/mol
- Monoisotopic mass
- 48
Names & identifiers
- Preferred name
- 1,3-Cyclobutadiyne
- IUPAC
- cyclobutatetraene
Names & synonyms
1,3-Cyclobutadiyne99417-54-6DTXSID00424060RefChem:218180DTXCID40374898cyclobutadiyneCyclobuta-1,3-diyneSCHEMBL2180832
Database identifiers
- CAS
99417-54-6- PubChem CID
- 6432018
- DTXSID
DTXSID00424060
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 86.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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