1-Buten-3-yn-2-ol
Basic information
- CAS
103905-52-8- Standard SMILES
C#CC(=C)O- InChIKey
RYEFLTCEZABBRX-UHFFFAOYSA-N- Molecular formula
- C4H4O
- Average molar mass
- 68.07 g/mol
- Monoisotopic mass
- 68.02621475
Names & identifiers
- Preferred name
- 1-Buten-3-yn-2-ol
- IUPAC
- but-1-en-3-yn-2-ol
- English name
- CH2=C(OH)C=CH
- Molecular formula
- C4H4O
- Molecular weight
- 68.07
Names & synonyms
1-Buten-3-yn-2-ol103905-52-8DTXSID00146139RefChem:75235DTXCID2068630but-1-en-3-yn-2-olCH2=C(OH)C.equiv.CHethinylvinyl alcoholSCHEMBL3001493CH2=C(OH)C=CH1-Buten-3-yn-2-ol (9CI)
Database identifiers
- CAS
103905-52-8- PubChem CID
- 145406
- DTXSID
DTXSID00146139- Nikkaji
- J2.047.366E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Boiling point
- 87.2 · 87.2±32.0 °C(Predicted)
- Density
- 0.962 · 0.962±0.06 g/cm3(Predicted)
- pka
- 9.24 · 9.24±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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