Ketone, hydroxymethyl 5-indolyl
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Basic information
- CAS
38693-06-0- Standard SMILES
O=C(CO)c1ccc2[nH]ccc2c1- InChIKey
KOMURGMEAMZZIX-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- Ketone, hydroxymethyl 5-indolyl
- IUPAC
- 2-hydroxy-1-(1H-indol-5-yl)ethanone
- English name
- Ethanone, 2-hydroxy-1-(1H-indol-5-yl)-
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
38693-06-05-(Hydroxyacetyl)indoleKETONE, HYDROXYMETHYL 5-INDOLYLBRN 1453255DTXSID301919905-21-12-00357 (Beilstein Handbook Reference)RefChem:350466DTXCID701144812-hydroxy-1-(1H-indol-5-yl)ethanone2-Hydroxy-1-(1H-indol-5-yl)ethan-1-oneEthanone, 2-hydroxy-1-(1H-indol-5-yl)-MFCD01716448
Show more names
5-hydroxyacetylindoleSCHEMBL7712394CS-0332468F18178F730308
Database identifiers
- CAS
38693-06-0- PubChem CID
- 38087
- DTXSID
DTXSID30191990- Nikkaji
- J96.791B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- 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
Physicochemical properties
- Boiling point
- 306.47 °C · 306.47°C (rough estimate)
- Density
- 1.1999 · 1.1999 (rough estimate)
- refractive index
- 1.506 · 1.5060 (estimate)
- storage temp.
- 2 · 2-8°C
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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