Cas no 896101-81-8 (1H-Indole-3-acetonitrile,5-methoxy-a,a-dimethyl-)
896101-81-8 structure
Product Name:1H-Indole-3-acetonitrile,5-methoxy-a,a-dimethyl-
CAS No:896101-81-8
MF:C13H14N2O
MW:214.263062953949
CID:714841
Update Time:2026-04-29
1H-Indole-3-acetonitrile,5-methoxy-a,a-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-acetonitrile,5-methoxy-a,a-dimethyl-
- 2-(5-methoxy-1-benzofuran-3-yl)ethyl iodide
- 2-(5-methoxy-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
- 2-(5-methoxy-1H-indol-3-yl)-2-methylpropanonitrile
- Benzofuran,3-(2-iodoethyl)-5-methoxy
-
- Inchi： InChI=1S/C13H14N2O/c1-13(2,8-14)11-7-15-12-5-4-9(16-3)6-10(11)12/h4-7,15H,1-3H3
- InChI Key： ZHDVNWHEEPLIBL-UHFFFAOYSA-N
- SMILES： CC(C)(C#N)C1=CNC2=C1C=C(C=C2)OC
Computed Properties
- Exact Mass: 214.11100
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
Experimental Properties
- PSA: 48.81000
- LogP: 2.97768
1H-Indole-3-acetonitrile,5-methoxy-a,a-dimethyl- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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