Cas no 59175-49-4 (1H-Pyrrole-2,3-dicarbonitrile)
1H-Pyrrole-2,3-dicarbonitrile structure
Product Name:1H-Pyrrole-2,3-dicarbonitrile
CAS No:59175-49-4
MF:C6H3N3
MW:117.108120203018
CID:339610
PubChem ID:21459523
Update Time:2025-04-19
1H-Pyrrole-2,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,3-dicarbonitrile
- SCHEMBL2787313
- 59175-49-4
- DTXSID50614257
- AKOS006358086
- dicyanopyrrole
-
- Inchi： 1S/C6H3N3/c7-3-5-1-2-9-6(5)4-8/h1-2,9H
- InChI Key： SWIRXXWZEVGZSC-UHFFFAOYSA-N
- SMILES： N1C=CC(C#N)=C1C#N
Computed Properties
- Exact Mass: 117.03279
- Monoisotopic Mass: 117.032697108g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 63.4?2
Experimental Properties
- PSA: 63.37
1H-Pyrrole-2,3-dicarbonitrile Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
59175-49-4 (1H-Pyrrole-2,3-dicarbonitrile) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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