Ketone, hydroxymethyl 1-methyl-3-indolyl
Basic information
- CAS
23518-13-0- Standard SMILES
Cn1cc(C(=O)CO)c2ccccc21- InChIKey
DFHGHQAFUBWFPM-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- Ketone, hydroxymethyl 1-methyl-3-indolyl
- IUPAC
- 2-hydroxy-1-(1-methylindol-3-yl)ethanone
- English name
- 3-(hydroxyacetyl)-1-methylindole
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21054
Names & synonyms
KETONE, HYDROXYMETHYL 1-METHYL-3-INDOLYL23518-13-0BRN 15304493-(Hydroxyacetyl)-1-methylindoleIndole, 3-(hydroxyacetyl)-1-methyl2-hydroxy-1-(1-methylindol-3-yl)ethanone2-hydroxy-1-(1-methyl-1H-indol-3-yl)ethan-1-one1-methyl-3-hydroxyacetylindoleDTXSID70178109
Database identifiers
- CAS
23518-13-0- PubChem CID
- 31969
- DTXSID
DTXSID70178109- Nikkaji
- J96.795E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 324.47 °C · 324.47°C (rough estimate)
- Density
- 1.1596 · 1.1596 (rough estimate)
- refractive index
- 1.5012 · 1.5012 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…