Cas no 89671-81-8 (Ethanone, 1-(5-methyl-1H-indol-2-yl)-)
89671-81-8 structure
Product Name:Ethanone, 1-(5-methyl-1H-indol-2-yl)-
CAS No:89671-81-8
MF:C11H11NO
MW:173.211142778397
CID:592610
PubChem ID:13184989
Update Time:2025-04-19
Ethanone, 1-(5-methyl-1H-indol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(5-methyl-1H-indol-2-yl)-
- 1-(5-methyl-1H-indol-2-yl)ethanone
- 5-methyl-2-acetylindole
- SCHEMBL10242689
- 1-(5-Methyl-1H-indol-2-yl)ethan-1-one
- DTXSID50525677
- AKOS014313399
- 89671-81-8
-
- Inchi: 1S/C11H11NO/c1-7-3-4-10-9(5-7)6-11(12-10)8(2)13/h3-6,12H,1-2H3
- InChI Key: NBXQMIOMSVTMCR-UHFFFAOYSA-N
- SMILES: O=C(C)C1=CC2C=C(C)C=CC=2N1
Computed Properties
- Exact Mass: 173.084063974g/mol
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 2.4
- Topological Polar Surface Area: 32.9?2
Ethanone, 1-(5-methyl-1H-indol-2-yl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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