Determine the necessary mass, volume, or concentration for preparing a solution.
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| Pubchem Sid | 488184885 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184885 |
| Canonical Smiles | C1=CC=C(C=C1)CN2C(=O)C=CC2=O |
| IUPAC Name | 1-benzylpyrrole-2,5-dione |
| InChIKey | MKRBAPNEJMFMHU-UHFFFAOYSA-N |
| INCHI | 1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2 |
| Isomeric SMILES | C1=CC=C(C=C1)CN2C(=O)C=CC2=O |
| WGK Germany | 3 |
| Molecular Weight | 187.2 |
| Reaxy-Rn | 135801 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135801&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 23, 2024 | N131913 | |
| Certificate of Analysis | Oct 23, 2024 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | May 12, 2023 | N131913 | |
| Certificate of Analysis | Apr 14, 2023 | N131913 | |
| Certificate of Analysis | Jan 18, 2023 | N131913 |
| Boil Point(°C) | 177 °C/20 mmHg |
|---|---|
| Melt Point(°C) | 70 °C |
| Molecular Weight | 187.190 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 187.063 Da |
| Monoisotopic Mass | 187.063 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xu Yang, Maosheng Lin, Jirui Wei, Jing Sun. (2022) A self-crosslinking nanogel scaffold for enhanced catalytic efficiency and stability. Polymer Chemistry, 14 (3): (284-294). [PMID:] [10.1039/D2PY01272C] |
| 2. Chi Lei, Qixiu Weng, Ping Song, Yingchun Zhu, Liangzhi Li, Lingzhao Kong, Lishi Yan. (2026) Thiol Modification of β-Glucosidase via N-Methoxycarbonylmaleimide for Enhancement of Catalytic Efficiency and Environmental Tolerance. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:41703775] [10.1021/acs.jafc.5c17409] |