Cas no 61698-95-1 (1H-Indole-3-carboxylic acid, 2-ethoxyethyl ester)
61698-95-1 structure
Product Name:1H-Indole-3-carboxylic acid, 2-ethoxyethyl ester
CAS No:61698-95-1
MF:C13H15NO3
MW:233.263103723526
CID:469487
PubChem ID:12308174
Update Time:2025-04-19
1H-Indole-3-carboxylic acid, 2-ethoxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylic acid, 2-ethoxyethyl ester
- 2-ethoxyethyl 1H-indole-3-carboxylate
- DTXSID50487089
- 61698-95-1
- AKOS001453826
-
- Inchi： 1S/C13H15NO3/c1-2-16-7-8-17-13(15)11-9-14-12-6-4-3-5-10(11)12/h3-6,9,14H,2,7-8H2,1H3
- InChI Key： BLCQPSSMSYLUTI-UHFFFAOYSA-N
- SMILES： O(CCOCC)C(C1=CNC2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 233.10525
- Monoisotopic Mass: 233.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 257
- 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: 2.9
- Topological Polar Surface Area: 51.3?2
Experimental Properties
- PSA: 51.32
1H-Indole-3-carboxylic acid, 2-ethoxyethyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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4. 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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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
61698-95-1 (1H-Indole-3-carboxylic acid, 2-ethoxyethyl ester) Related Products
- 776-41-0(Ethyl indole-3-carboxylate)
- 942-24-5(Methyl indole-3-carboxylate)
- 50614-84-1(Ethyl indole-4-carboxylate)
- 312973-24-3(Methyl 3-formyl-1H-indole-7-carboxylate)
- 227960-12-5(5-Methylindole-3-carboxylic acid methyl ester)
- 50741-46-3(Ethyl quinoline-3-carboxylate)
- 197506-83-5(Methyl 3-formyl-1H-indole-5-carboxylate)
- 205873-58-1(Ethyl 1H-indole-7-carboxylate)
- 133831-28-4(Methyl 3-formylindole-6-carboxylate)
- 773134-49-9(Methyl 7-methyl-1H-indole-3-carboxylate)
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