Cas no 800377-30-4 (4-(2-Methylindol-1-yl)butan-2-one)
800377-30-4 structure
Product Name:4-(2-Methylindol-1-yl)butan-2-one
CAS No:800377-30-4
MF:C13H15NO
MW:201.264303445816
CID:712732
Update Time:2023-08-03
4-(2-Methylindol-1-yl)butan-2-one Chemical and Physical Properties
Names and Identifiers
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- 2-Butanone,4-(2-methyl-1H-indol-1-yl)-
- 2-Butanone,4-(2-methyl-1-indolyl)- (4CI)
- 4-(2-Methyl-1H-indol-1-yl)butan-2-one
- 4-(2-Methylindol-1-yl)butan-2-one
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- Inchi： 1S/C13H15NO/c1-10-9-12-5-3-4-6-13(12)14(10)8-7-11(2)15/h3-6,9H,7-8H2,1-2H3
- InChI Key： UTOGVQQUNONHCD-UHFFFAOYSA-N
- SMILES： O=C(C)CCN1C(C)=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 201.115
- Monoisotopic Mass: 201.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- 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: 2.4
- Topological Polar Surface Area: 22
4-(2-Methylindol-1-yl)butan-2-one Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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