2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid structure

2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid

2-(1-benzylpyrrol-2-yl)but-2-enedioic acid

Also Known As: 2-(1-benzylpyrrol-2-yl)but-2-enedioic acid|(E)-2-(1-benzylpyrrol-2-yl)but-2-enedioic acid

CAS: 23391-53-9
Molecular Formula C15H13NO4
Molecular Weight 271.08447 g/mol
LogP 1.6
Topological Polar Surface Area 79.5 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 271.08447
Monoisotopic Mass 271.08447
Heavy Atoms 20
Complexity 399.0

Chemical Identifiers

CAS Number 23391-53-9
SMILES C1=CC=C(C=C1)CN2C=CC=C2C(=CC(=O)O)C(=O)O
InChIKey JZMWZRWOFRMKBM-UHFFFAOYSA-N

Product Overview

2-(1-Benzylpyrrol-2-yl)but-2-enedioic acid (CAS 23391-53-9), with molecular formula C15H13NO4 and molecular weight 271.08447 g/mol. IUPAC: 2-(1-benzylpyrrol-2-yl)but-2-enedioic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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