Cas no 948581-66-6 (1H-Indole-3-carboxylic acid, 5,7-dimethyl-)
948581-66-6 structure
Product Name:1H-Indole-3-carboxylic acid, 5,7-dimethyl-
CAS No:948581-66-6
MF:C11H11NO2
MW:189.210542917252
CID:1001314
PubChem ID:45121045
Update Time:2025-04-20
1H-Indole-3-carboxylic acid, 5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylic acid, 5,7-dimethyl-
- 948581-66-6
- SCHEMBL12748347
- 5,7-dimethyl-1H-indole-3-carboxylicacid
- 5,7-dimethyl-1H-indole-3-carboxylic acid
-
- Inchi： 1S/C11H11NO2/c1-6-3-7(2)10-8(4-6)9(5-12-10)11(13)14/h3-5,12H,1-2H3,(H,13,14)
- InChI Key： HIRKMQGYEPVUNJ-UHFFFAOYSA-N
- SMILES： OC(C1=CNC2C(C)=CC(C)=CC=21)=O
Computed Properties
- Exact Mass: 189.079
- Monoisotopic Mass: 189.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 241
- 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: 53.1A^2
- XLogP3: 2.3
1H-Indole-3-carboxylic acid, 5,7-dimethyl- 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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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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
948581-66-6 (1H-Indole-3-carboxylic acid, 5,7-dimethyl-) Related Products
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- 312973-24-3(Methyl 3-formyl-1H-indole-7-carboxylate)
- 30448-16-9(7-Methyl-1H-indole-3-carboxylic acid)
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- 3705-21-3(5-Hydroxy-1H-indole-3-carboxylic acid)
- 119248-43-0(1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid)
- 773134-49-9(Methyl 7-methyl-1H-indole-3-carboxylate)
- 816448-09-6(8-Methylquinoline-4-carboxylic acid)
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