2D Chemical StructureDatabase ID 12958482
No renderable structure data available
SMILES
C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)O)C(=O)OStructure data verified · Database ID 12958482
Chemical Intermediate
1-benzylpyrrole-3,4-dicarboxylic acid
CAS 86731-90-0Product ID 542673
| Intermediates | 1-benzylpyrrole-3,4-dicarboxylic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 86731-90-0 |
| Database ID | 12958482 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-benzylpyrrole-3,4-dicarboxylic acid
1-benzylpyrrole-3,4-dicarboxylic acid (CAS 86731-90-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number86731-90-0
Database ID12958482
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 12958482
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)O)C(=O)O
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 86731-90-01-benzylpyrrole-3,4-dicarboxylic acid
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