4-Formyl-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1cc(C=O)cn1S(C)(=O)=O- InChIKey
SYLFOHNNYIFHIV-UHFFFAOYSA-N- Molecular formula
- C8H9NO5S
- Average molar mass
- 231.23 g/mol
- Monoisotopic mass
- 231.02014356
Names & identifiers
- Preferred name
- 4-Formyl-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-formyl-1-methylsulfonylpyrrole-2-carboxylate
Names & synonyms
4-Formyl-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid methyl esterSCHEMBL5038166SYLFOHNNYIFHIV-UHFFFAOYSA-N845868-06-6DB-305936
Database identifiers
- PubChem CID
- 59639707
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 358
Related reactions
3 records
Compound notes
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