Cas no 70971-70-9 (1H-Pyrrole, 1-(4-methylbenzoyl)-)
70971-70-9 structure
Product Name:1H-Pyrrole, 1-(4-methylbenzoyl)-
CAS No:70971-70-9
MF:C12H11NO
MW:185.221843004227
CID:546320
PubChem ID:4350088
Update Time:2025-04-19
1H-Pyrrole, 1-(4-methylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 1-(4-methylbenzoyl)-
- (4-methylphenyl)-pyrrol-1-ylmethanone
- DTXSID10402238
- 70971-70-9
-
- Inchi： 1S/C12H11NO/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13/h2-9H,1H3
- InChI Key： SLYBRBKRTRHGGB-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)N1C=CC=C1
Computed Properties
- Exact Mass: 185.08413
- Monoisotopic Mass: 185.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 200
- 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
- Topological Polar Surface Area: 22A^2
- XLogP3: 2.6
Experimental Properties
- PSA: 22
1H-Pyrrole, 1-(4-methylbenzoyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
70971-70-9 (1H-Pyrrole, 1-(4-methylbenzoyl)-) Related Products
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