Basic information
- Standard SMILES
O=C([O-])c1cc2ccccc2[nH]1- InChIKey
HCUARRIEZVDMPT-UHFFFAOYSA-M- Molecular formula
- C9H6NO2-
- Average molar mass
- 160.15 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- Indole-2-carboxylate
- IUPAC
- 1H-indole-2-carboxylate
Names & synonyms
Indole-2-carboxylateRefChem:1481911H-indole-2-carboxylateazaindolateindole-carboxylateHCUARRIEZVDMPT-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 4288522
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 187
Related reactions
3 records
Compound notes
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