Cas no 271-26-1 (3H-Indole)
3H-Indole structure
Product Name:3H-Indole
3H-Indole Chemical and Physical Properties
Names and Identifiers
-
- 3H-Indole
- 3H-Pseudoindole
- RKJUIXBNRJVNHR-UHFFFAOYSA-N
- DTXSID60181561
- SCHEMBL60763
- 271-26-1
- Q27116522
- CHEBI:35579
-
- Inchi： 1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6H,5H2
- InChI Key： RKJUIXBNRJVNHR-UHFFFAOYSA-N
- SMILES： N1=CCC2C=CC=CC1=2
Computed Properties
- Exact Mass: 117.05800
- Monoisotopic Mass: 117.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 129
- 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
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- Density: 1.07
- Boiling Point: 236.3°C at 760 mmHg
- Flash Point: 88.3°C
- Refractive Index: 1.603
- PSA: 12.36000
- LogP: 1.38060
3H-Indole Related Literature
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1. 181. The mechanism of heterocyclic ring expansions. Part I. The reaction of 2,3-dimethylindole with dichlorocarbeneC. W. Rees,C. E. Smithen J. Chem. Soc. 1964 928
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Riham F. George,Siva S. Panda,El-Sayed M. Shalaby,Aladdin M. Srour,I. S. Ahmed Farag,Adel S. Girgis RSC Adv. 2016 6 45434
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3. Site specificity of [3,3] sigmatropic rearrangements of 3-allyl- and 3-(prop-2-ynyl)-3H-indolesRobert K. Bramely,Joseph Caldwell,Ronald Grigg J. Chem. Soc. Perkin Trans. 1 1973 1913
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Adel S. Girgis,Siva S. Panda,I. S. Ahmed Farag,A. M. El-Shabiny,A. M. Moustafa,Nasser S. M. Ismail,Girinath G. Pillai,Chandramukhi S. Panda,C. Dennis Hall,Alan R. Katritzky Org. Biomol. Chem. 2015 13 1741
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Guoqi Xia,Cheng Qu,Yunlong Zhu,Kaiqi Ye,Zuolun Zhang,Yue Wang J. Mater. Chem. C 2021 9 6834
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