Basic information
- CAS
52098-15-4- Standard SMILES
Cc1c(C(=O)CO)[nH]c2ccccc12- InChIKey
KRRAWWIIQGWRTH-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- Ketone, hydroxymethyl 3-methyl-2-indolyl-
- IUPAC
- 2-hydroxy-1-(3-methyl-1H-indol-2-yl)ethanone
Names & synonyms
BRN 01566552-(Hydroxyacetyl)-3-methylindoleKETONE, HYDROXYMETHYL 3-METHYL-2-INDOLYL-Hydroxymethyl 3-methyl-2-indolyl ketone52098-15-4DTXSID802000865-21-12-00375 (Beilstein Handbook Reference)RefChem:350465DTXCID801225772-hydroxy-1-(3-methyl-1H-indol-2-yl)ethan-1-one
Database identifiers
- CAS
52098-15-4- PubChem CID
- 40227
- DTXSID
DTXSID80200086- Nikkaji
- J96.797A
Properties
Computed structural properties
- XLogP
- 1.8
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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