2-(3-Oxo-1h,3h-benzo[de]isochromen-1-yl)-1h-indole-7-carboxylic acid
Basic information
- CAS
58521-43-0- Standard SMILES
O=C(O)c1cccc2cc(C3OC(=O)c4cccc5cccc3c45)[nH]c12- InChIKey
LZRRPDNDYISPQN-UHFFFAOYSA-N- Molecular formula
- C21H13NO4
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.0844579
Names & identifiers
- Preferred name
- 2-(3-Oxo-1h,3h-benzo[de]isochromen-1-yl)-1h-indole-7-carboxylic acid
- IUPAC
- 2-(4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)-1H-indole-7-carboxylic acid
Names & synonyms
2-(3-oxo-1h,3h-benzo[de]isochromen-1-yl)-1h-indole-7-carboxylic acid2-(4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)-1H-indole-7-carboxylic acidLZRRPDNDYISPQN-UHFFFAOYSA-N
Database identifiers
- CAS
58521-43-0- PubChem CID
- 94093
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 593
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Compound notes
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