1-(4,7-dihydroxy-1H-indol-3-yl)ethanone
Basic information
- CAS
55099-17-7- Standard SMILES
CC(=O)c1c[nH]c2c(O)ccc(O)c12- InChIKey
OQYUROIQQZKCTH-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- 1-(4,7-dihydroxy-1H-indol-3-yl)ethanone
- IUPAC
- 1-(4,7-dihydroxy-1H-indol-3-yl)ethanone
Names & synonyms
1-(4,7-dihydroxy-1H-indol-3-yl)ethanone55099-17-7NSC243837DTXSID30311550NSC-2438371-(4,7-Dihydroxy-1H-indol-3-yl)ethan-1-one
Database identifiers
- CAS
55099-17-7- PubChem CID
- 316293
- DTXSID
DTXSID30311550
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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