1-(2,5-Dimethoxyphenyl)pyrrole-2-carboxylic acid
Basic information
- CAS
39843-63-5- Standard SMILES
COc1ccc(OC)c(-n2cccc2C(=O)O)c1- InChIKey
GGALCPPUQFWUST-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)pyrrole-2-carboxylic acid
- IUPAC
- 1-(2,5-dimethoxyphenyl)pyrrole-2-carboxylic acid
Names & synonyms
39843-63-51-(2,5-dimethoxyphenyl)pyrrole-2-carboxylic acidNSC184852DTXSID80306996NSC-1848521-(2,5-dimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
Database identifiers
- CAS
39843-63-5- PubChem CID
- 302182
- DTXSID
DTXSID80306996
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
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