Ketone, hydroxymethyl 1-methyl-2-indolyl-
Basic information
- CAS
52098-14-3- Standard SMILES
Cn1c(C(=O)CO)cc2ccccc21- InChIKey
DFNBEKKRXUBVHS-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- Ketone, hydroxymethyl 1-methyl-2-indolyl-
- IUPAC
- 2-hydroxy-1-(1-methylindol-2-yl)ethanone
Names & synonyms
BRN 15304122-(Hydroxyacetyl)-1-methylindoleKETONE, HYDROXYMETHYL 1-METHYL-2-INDOLYL-2-(2-Hydroxyacetyl)-1-methylindoleHydroxymethyl 1-methyl-2-indolyl ketone52098-14-3DTXSID202000855-21-12-00352 (Beilstein Handbook Reference)RefChem:350460DTXCID201225762-hydroxy-1-(1-methyl-1H-indol-2-yl)ethan-1-one
Database identifiers
- CAS
52098-14-3- PubChem CID
- 40226
- DTXSID
DTXSID20200085- Nikkaji
- J96.794G
Properties
Computed structural properties
- XLogP
- 1.4
- 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
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Compound notes
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