Dimethyl 7-formyl-4,6-dimethoxy-1H-indole-2,3-dicarboxylate
Basic information
- CAS
100997-48-6- Standard SMILES
COC(=O)c1[nH]c2c(C=O)c(OC)cc(OC)c2c1C(=O)OC- InChIKey
FYZGHBWFFVAOHU-UHFFFAOYSA-N- Molecular formula
- C15H15NO7
- Average molar mass
- 321.28 g/mol
- Monoisotopic mass
- 321.08485182
Names & identifiers
- Preferred name
- Dimethyl 7-formyl-4,6-dimethoxy-1H-indole-2,3-dicarboxylate
- IUPAC
- dimethyl 7-formyl-4,6-dimethoxy-1H-indole-2,3-dicarboxylate
Names & synonyms
100997-48-6DTXSID60544990Dimethyl 7-formyl-4,6-dimethoxy-1H-indole-2,3-dicarboxylateRefChem:338657DTXCID004957751H-Indole-2,3-dicarboxylic acid, 7-formyl-4,6-dimethoxy-, 2,3-dimethyl ester
Database identifiers
- CAS
100997-48-6- PubChem CID
- 13611532
- DTXSID
DTXSID60544990
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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