Basic information
- Standard SMILES
C#CCOc1ccc2[nH]ccc2c1- InChIKey
UOMBOZOHHCAYNA-UHFFFAOYSA-N- Molecular formula
- C11H9NO
- Average molar mass
- 171.19 g/mol
Names & identifiers
- Preferred name
- 5-(Prop-2-ynynloxy)indole
- IUPAC
- 5-prop-2-ynoxy-1H-indole
- English name
- 5-(prop-2-ynynloxy)indole
- Molecular formula
- C11H9NO
- Molecular weight
- 171.2
Names & synonyms
5-(Prop-2-ynynloxy)indole153969-91-65-prop-2-ynoxy-1H-indole5-(2-Propynyloxy)-1H-indoleSCHEMBL63508355-(prop-2-ynyloxy)-1H-indoleUOMBOZOHHCAYNA-UHFFFAOYSA-NMFCD20661790AKOS017530792SY56602510.14272/UOMBOZOHHCAYNA-UHFFFAOYSA-N.1doi:10.14272/UOMBOZOHHCAYNA-UHFFFAOYSA-N.1
Show more names
1H-Indole, 5-(2-propyn-1-yloxy)-
Database identifiers
- CAS
153969-91-6- Nikkaji
- J1.312.491D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 348.3 · 348.3±22.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 16.46 · 16.46±0.30(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Linked notes
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