Cas no 672957-90-3 (1H-Indole-6-carboxylic acid, 1,3-dimethyl-)
672957-90-3 structure
Product Name:1H-Indole-6-carboxylic acid, 1,3-dimethyl-
CAS No:672957-90-3
MF:C11H11NO2
MW:189.210542917252
CID:1715996
PubChem ID:23383443
Update Time:2025-04-21
1H-Indole-6-carboxylic acid, 1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-6-carboxylic acid, 1,3-dimethyl-
- DB-407215
- 1,3-dimethyl-1H-indole-6-carboxylic acid
- 672957-90-3
- SCHEMBL2809572
-
- Inchi： 1S/C11H11NO2/c1-7-6-12(2)10-5-8(11(13)14)3-4-9(7)10/h3-6H,1-2H3,(H,13,14)
- InChI Key： LMSCKFZVUNXKFP-UHFFFAOYSA-N
- SMILES： OC(C1C=CC2C(C)=CN(C)C=2C=1)=O
Computed Properties
- Exact Mass: 189.078978594g/mol
- Monoisotopic Mass: 189.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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
- XLogP3: 1.9
- Topological Polar Surface Area: 42.2?2
1H-Indole-6-carboxylic acid, 1,3-dimethyl- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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