Cas no 35250-69-2 (Ethanone,1-(1,5-dimethyl-1H-pyrrol-2-yl)-)
35250-69-2 structure
Product Name:Ethanone,1-(1,5-dimethyl-1H-pyrrol-2-yl)-
CAS No:35250-69-2
MF:C8H11NO
MW:137.179042100906
CID:295504
PubChem ID:12280549
Update Time:2025-04-19
Ethanone,1-(1,5-dimethyl-1H-pyrrol-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone,1-(1,5-dimethyl-1H-pyrrol-2-yl)-
- 1,2-Dimethyl-5-acetylpyrrole
- 5-Acetyl-1,2-dimethylpyrrole
- DTXSID901279801
- SCHEMBL7706724
- 35250-69-2
- 1-(1,5-Dimethyl-1H-pyrrol-2-yl)ethanone
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- Inchi： 1S/C8H11NO/c1-6-4-5-8(7(2)10)9(6)3/h4-5H,1-3H3
- InChI Key： BOMRWYWTTXXRQX-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC=C(C)N1C
Computed Properties
- Exact Mass: 137.08413
- Monoisotopic Mass: 137.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 144
- 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: 1.1
- Topological Polar Surface Area: 22?2
Experimental Properties
- PSA: 22
Ethanone,1-(1,5-dimethyl-1H-pyrrol-2-yl)- 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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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