Basic information
- Standard SMILES
COC(=O)c1ccc2c(C=O)cn(C(C)=O)c2c1- InChIKey
ZLPICBPIZPIALX-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
Names & identifiers
- Preferred name
- Methyl 1-acetyl-3-formylindole-6-carboxylate
- IUPAC
- methyl 1-acetyl-3-formylindole-6-carboxylate
Names & synonyms
SCHEMBL6217117ZLPICBPIZPIALX-UHFFFAOYSA-Nmethyl 1-acetyl-3-formylindole-6-carboxylate
Database identifiers
- PubChem CID
- 22569996
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
2 records
Compound notes
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