Basic information
- Standard SMILES
CNc1ccccc1C(=O)C(=O)O- InChIKey
HUXDHUBJQUUGBS-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
Names & identifiers
- Preferred name
- N-methylisatic acid
- IUPAC
- 2-[2-(methylamino)phenyl]-2-oxoacetic acid
Names & synonyms
N-methylisatic acidSCHEMBL28392229HUXDHUBJQUUGBS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 429819
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
7 records
Compound notes
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