Basic information
- Standard SMILES
O=C(OCc1ccccc1)c1ccc2cc[nH]c2c1- InChIKey
POZPVAGIGKHOSK-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- benzyl 1H-indole-6-carboxylate
- IUPAC
- benzyl 1H-indole-6-carboxylate
Names & synonyms
benzyl 1H-indole-6-carboxylate223438-52-6SCHEMBL7908275POZPVAGIGKHOSK-UHFFFAOYSA-NMFCD34788268Phenylmethyl 1H-indole-6-carboxylate1H-Indole-6-carboxylic acid, phenylmethyl ester
Database identifiers
- PubChem CID
- 22009945
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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