Cas no 739365-09-4 (1-NEOPENTYL-1H-INDOLE-3-CARBOXYLIC ACID)
739365-09-4 structure
Product Name:1-NEOPENTYL-1H-INDOLE-3-CARBOXYLIC ACID
CAS No:739365-09-4
MF:C14H17NO2
MW:231.290283918381
CID:1763726
PubChem ID:23092003
Update Time:2025-04-21
1-NEOPENTYL-1H-INDOLE-3-CARBOXYLIC ACID Chemical and Physical Properties
Names and Identifiers
-
- 1-NEOPENTYL-1H-INDOLE-3-CARBOXYLIC ACID
- 1-(2,2-dimethylpropyl)indole-3-carboxylic acid
- SCHEMBL5066705
- DTXSID90630537
- XNDDVADNOREXGM-UHFFFAOYSA-N
- DB-420366
- 739365-09-4
- A1-48010
- 1-(2,2-Dimethylpropyl)-1H-indole-3-carboxylic acid
-
- Inchi： 1S/C14H17NO2/c1-14(2,3)9-15-8-11(13(16)17)10-6-4-5-7-12(10)15/h4-8H,9H2,1-3H3,(H,16,17)
- InChI Key： XNDDVADNOREXGM-UHFFFAOYSA-N
- SMILES： OC(C1=CN(C2C=CC=CC=21)CC(C)(C)C)=O
Computed Properties
- Exact Mass: 231.126
- Monoisotopic Mass: 231.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 295
- 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: 42.2A^2
- XLogP3: 3.2
Experimental Properties
- Density: 1.10±0.1 g/cm3(Predicted)
- Boiling Point: 404.5±18.0 °C(Predicted)
1-NEOPENTYL-1H-INDOLE-3-CARBOXYLIC ACID Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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