Cas no 31685-34-4 (1,1'-(1H-pyrrole-2,5-diyl)bis-Ethanone)
31685-34-4 structure
Product Name:1,1'-(1H-pyrrole-2,5-diyl)bis-Ethanone
CAS No:31685-34-4
MF:C8H9NO2
MW:151.162562131882
CID:299934
PubChem ID:12379766
Update Time:2025-04-19
1,1'-(1H-pyrrole-2,5-diyl)bis-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-(1H-pyrrole-2,5-diyl)bis-Ethanone
- 2,5-diacetylpyrrole
- Ethanone,1,1'-(1H-pyrrole-2,5-diyl)bis-
- Pyrrole,2,5-diacetyl- (6CI,8CI)
- 1,1'-(1H-pyrrole-2,5-diyl)diethanone
- 2,5-Diacetylpyrrol
- SCHEMBL18744693
- 31685-34-4
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- Inchi： 1S/C8H9NO2/c1-5(10)7-3-4-8(9-7)6(2)11/h3-4,9H,1-2H3
- InChI Key： XBGJHMUFLXNHIV-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC=C(C(C)=O)N1
Computed Properties
- Exact Mass: 151.06337
- Monoisotopic Mass: 151.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 169
- 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: 0.7
- Topological Polar Surface Area: 49.9?2
Experimental Properties
- PSA: 49.93
1,1'-(1H-pyrrole-2,5-diyl)bis-Ethanone Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
31685-34-4 (1,1'-(1H-pyrrole-2,5-diyl)bis-Ethanone) Related Products
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