1-(2-Methylphenyl)-1H-pyrrole-2-carboxylic acid
Basic information
- CAS
35524-49-3- Standard SMILES
Cc1ccccc1-n1cccc1C(=O)O- InChIKey
NQKTYRMSWSQSIS-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 1-(2-Methylphenyl)-1H-pyrrole-2-carboxylic acid
- IUPAC
- 1-(2-methylphenyl)pyrrole-2-carboxylic acid
Names & synonyms
35524-49-3NSC2160031-(2-Methylphenyl)-1H-pyrrole-2-carboxylic acidDTXSID20309800NSC-216003
Database identifiers
- CAS
35524-49-3- PubChem CID
- 310871
- DTXSID
DTXSID20309800
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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