Ketone, hydroxymethyl 2-indolyl-
Basic information
- CAS
52098-13-2- Standard SMILES
O=C(CO)c1cc2ccccc2[nH]1- InChIKey
YLTXNJDKNASTBG-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- Ketone, hydroxymethyl 2-indolyl-
- IUPAC
- 2-hydroxy-1-(1H-indol-2-yl)ethanone
Names & synonyms
KETONE, HYDROXYMETHYL 2-INDOLYL-52098-13-22-(Hydroxyacetyl)indoleHydroxymethyl 2-indolyl ketoneBRN 1528291hydroxyacetylindole2-hydroxy-1-(1H-indol-2-yl)ethan-1-oneSCHEMBL6923977DTXSID60200084AKOS006373637
Database identifiers
- CAS
52098-13-2- PubChem CID
- 40225
- DTXSID
DTXSID60200084- Nikkaji
- J96.790D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
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Compound notes
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