Basic information
- Standard SMILES
CCc1ccc2c(C(=O)C(=O)OC)c[nH]c2c1- InChIKey
ORGMTFINPOZLMX-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(6-ethyl-1H-indol-3-yl)oxoacetate
- IUPAC
- methyl 2-(6-ethyl-1H-indol-3-yl)-2-oxoacetate
Names & synonyms
SCHEMBL6030492ORGMTFINPOZLMX-UHFFFAOYSA-NMethyl 2-(6-ethyl-1H-indol-3-yl)oxoacetate
Database identifiers
- PubChem CID
- 21949969
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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