Basic information
- CAS
61100-71-8- Standard SMILES
Cc1ccc(C(=O)O)cc1N=Nc1c(O)[nH]c2ccccc12- InChIKey
ACXQJOQHMMVTQA-UHFFFAOYSA-N- Molecular formula
- C16H13N3O3
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.09569129
Names & identifiers
- Preferred name
- 4-Methyl-3-[2-(2-oxo-2H-indol-3-yl)hydrazinyl]benzoic acid
- IUPAC
- 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-4-methylbenzoic acid
Names & synonyms
61100-71-8DTXSID008207254-Methyl-3-[2-(2-oxo-2H-indol-3-yl)hydrazinyl]benzoic acid4-Methyl-3-[2-(2-oxo-2H-indol-3-yl)hydrazin-1-yl]benzoic acid
Database identifiers
- CAS
61100-71-8- PubChem CID
- 136265992
- DTXSID
DTXSID00820725
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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