Cas no 31676-43-4 (1-(2,3-dimethyl-1H-indol-1-yl)-Ethanone)
31676-43-4 structure
Product Name:1-(2,3-dimethyl-1H-indol-1-yl)-Ethanone
CAS No:31676-43-4
MF:C12H13NO
MW:187.237723112106
CID:1110746
PubChem ID:524512
Update Time:2025-04-20
1-(2,3-dimethyl-1H-indol-1-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,3-dimethyl-1H-indol-1-yl)-Ethanone
- 1-(2,3-dimethylindol-1-yl)ethanone
- DB-115718
- UCHBCCUSCVVGCY-UHFFFAOYSA-N
- 1-(2,3-dimethyl-1H-indol-1-yl)ethan-1-one
- N-acetyl-2,3-dimethylindole
- N-Acetyl-2,3-dimethyl-indole
- 31676-43-4
- DTXSID20335321
- 1-Acetyl-2,3-dimethyl-1H-indole
- HS-7030
- AKOS004907648
- SCHEMBL9746269
-
- Inchi： 1S/C12H13NO/c1-8-9(2)13(10(3)14)12-7-5-4-6-11(8)12/h4-7H,1-3H3
- InChI Key： UCHBCCUSCVVGCY-UHFFFAOYSA-N
- SMILES： O=C(C)N1C(C)=C(C)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 187.099714038g/mol
- Monoisotopic Mass: 187.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 239
- 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: 2.6
- Topological Polar Surface Area: 22?2
1-(2,3-dimethyl-1H-indol-1-yl)-Ethanone Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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