Cas no 5689-31-6 (6-Acetoxyindole)
6-Acetoxyindole structure
Product Name:6-Acetoxyindole
CAS No:5689-31-6
MF:C10H9NO2
MW:175.183962583542
CID:1114146
PubChem ID:14529092
Update Time:2025-04-20
6-Acetoxyindole Chemical and Physical Properties
Names and Identifiers
-
- 6-Acetoxyindole
- 1H-Indol-6-yl acetate
- AKOS006306411
- AC-27782
- SCHEMBL3750809
- AQPAAQVLJBZFCV-UHFFFAOYSA-N
- 1H-indol-6-ylacetate
- 5689-31-6
- Acetic acid 1H-indol-6-yl ester
-
- Inchi： 1S/C10H9NO2/c1-7(12)13-9-3-2-8-4-5-11-10(8)6-9/h2-6,11H,1H3
- InChI Key： AQPAAQVLJBZFCV-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC2C=CNC=2C=1
Computed Properties
- Exact Mass: 175.063328530g/mol
- Monoisotopic Mass: 175.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 205
- 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: 42.1?2
6-Acetoxyindole Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
5689-31-6 (6-Acetoxyindole) Related Products
- 5585-96-6(4-Acetoxyindole)
- 608-08-2(3-Indolyl Acetate)
- 31720-89-5(5-Acetoxyindole)
- 24306-33-0(Quinolin-6-yl acetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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