2H-Indolium, 3,5-dihydro-3,6-dihydroxy-1-methyl-5-oxo-
Basic information
- CAS
62326-43-6- Standard SMILES
C[N+]1=C2C=C(O)C(=O)C=C2C(O)C1- InChIKey
RPHLQSHHTJORHI-UHFFFAOYSA-O- Molecular formula
- C9H10NO3+
- Average molar mass
- 180.18 g/mol
- Monoisotopic mass
- 180.06606818
Names & identifiers
- Preferred name
- 2H-Indolium, 3,5-dihydro-3,6-dihydroxy-1-methyl-5-oxo-
- IUPAC
- 3,6-dihydroxy-1-methyl-2,3-dihydroindol-1-ium-5-one
Names & synonyms
3,6-dihydroxy-1-methyl-2,3-dihydroindol-1-ium-5-one62326-43-62H-Indolium, 3,5-dihydro-3,6-dihydroxy-1-methyl-5-oxo-CHEMBL320294DTXSID503311743,6-Dihydroxy-1-methyl-5-oxo-3,5-dihydro-2H-indolium3,6-Dihydroxy-1-methyl-5-oxo-3,5-dihydro-2H-indol-1-ium
Database identifiers
- CAS
62326-43-6- PubChem CID
- 436141
- DTXSID
DTXSID50331174- ChEMBL
CHEMBL320294
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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