Basic information
- CAS
26547-25-1- Standard SMILES
CCCCCC#CC(C)O- InChIKey
NFCFRJFSBOSNOX-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 3-Nonyn-2-ol
- IUPAC
- non-3-yn-2-ol
- English name
- 3-Nonyn-2-ol
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
3-Nonyn-2-ol26547-25-1DTXSID80336778RefChem:281392DTXCID70287866NFCFRJFSBOSNOX-UHFFFAOYSA-Nnon-3-yn-2-olSCHEMBL5384024
Database identifiers
- CAS
26547-25-1- PubChem CID
- 536232
- DTXSID
DTXSID80336778- Nikkaji
- J126.486I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- -16 °C · -16°C (estimate)
- Boiling point
- 226.76 °C · 226.76°C (rough estimate)
- Density
- 0.8565 · 0.8565 (estimate)
- refractive index
- 1.4415 · 1.4415 (estimate)
- pka
- 13.18 · 13.18±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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