Cas no 885227-03-2 (5-(2-hydroxyethoxy)-1H-Indole-2-carboxylic acid)
885227-03-2 structure
Product Name:5-(2-hydroxyethoxy)-1H-Indole-2-carboxylic acid
CAS No:885227-03-2
MF:C11H11NO4
MW:221.209343194962
CID:2114582
PubChem ID:18455622
Update Time:2025-04-21
5-(2-hydroxyethoxy)-1H-Indole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(2-hydroxyethoxy)-1H-Indole-2-carboxylic acid
- SCHEMBL3033147
- DA-38777
- SZWCTYNCYXFHLB-UHFFFAOYSA-N
- 885227-03-2
- 5-[(2-Hydroxyethyl)oxy]-1H-indole-2-carboxylic acid
-
- Inchi： 1S/C11H11NO4/c13-3-4-16-8-1-2-9-7(5-8)6-10(12-9)11(14)15/h1-2,5-6,12-13H,3-4H2,(H,14,15)
- InChI Key： SZWCTYNCYXFHLB-UHFFFAOYSA-N
- SMILES： O(CCO)C1C=CC2=C(C=1)C=C(C(=O)O)N2
Computed Properties
- Exact Mass: 221.06880783Da
- Monoisotopic Mass: 221.06880783Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 258
- 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: 1.6
- Topological Polar Surface Area: 82.6?2
5-(2-hydroxyethoxy)-1H-Indole-2-carboxylic acid Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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