1-Butyn-3-yl radical
Basic information
- CAS
3315-42-2- Standard SMILES
C#C[CH]C- InChIKey
ULVFVBQUCTUAPR-UHFFFAOYSA-N- Molecular formula
- C4H5
- Average molar mass
- 53.08 g/mol
- Monoisotopic mass
- 53.03912516
Names & identifiers
- Preferred name
- 1-Butyn-3-yl radical
- IUPAC
- But-1-yn-3-yl
- English name
- CH=CCHCH3
- Molecular formula
- C4H5*
- Molecular weight
- 53.0825
Names & synonyms
1-Butyn-3-yl radical3315-42-2CH.equiv.CCHCH3buta-1,2-dien-1-yl1,2-Butadien-1-yl radicalDTXSID30186801CH=CCHCH3
Database identifiers
- CAS
3315-42-2- PubChem CID
- 137889
- DTXSID
DTXSID30186801- Nikkaji
- J1.112.884J、J834.945B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 35.2
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Compound notes
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