Basic information
- CAS
27463-04-3- Standard SMILES
Cc1[nH]c2ccccc2c1C(=O)CO- InChIKey
AOIQXGZLVRZENQ-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- Ketone, hydroxymethyl 2-methyl-3-indolyl
- IUPAC
- 2-hydroxy-1-(2-methyl-1H-indol-3-yl)ethanone
- English name
- 2-HYDROXY-1-(2-METHYL-1H-INDOL-3-YL)ETHANONE
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
BRN 0142720KETONE, HYDROXYMETHYL 2-METHYL-3-INDOLYL27463-04-33-(2-Hydroxyacetyl)-2-methylindoleIndole, 3-(hydroxyacetyl)-2-methylDTXSID001818835-21-12-00374 (Beilstein Handbook Reference)RefChem:350463DTXCID401043742-hydroxy-1-(2-methyl-1H-indol-3-yl)ethan-1-one2-methyl-3-hydroxyacetylindoleAKOS006242281
Show more names
2-HYDROXY-1-(2-METHYL-1H-INDOL-3-YL)ETHANONEEthanone, 2-hydroxy-1-(2-methyl-1H-indol-3-yl)-
Database identifiers
- CAS
27463-04-3- PubChem CID
- 33868
- DTXSID
DTXSID00181883- Nikkaji
- J96.796C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- 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)
- pka
- 12.93 · 12.93±0.10(Predicted)
Chemistry & industry
Suppliers1 total
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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