Cas no 4773-83-5 (1,2,3-Trimethylindene)
1,2,3-Trimethylindene structure
Product Name:1,2,3-Trimethylindene
1,2,3-Trimethylindene Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Trimethylindene
- 1H-Indene, 1,2,3-trimethyl-
- 1,2,3-trimethyl-1H-indene
- DTXSID30343290
- 4773-83-5
- NS00009616
- trimethylindene
- 1,2,3-Trimethyl-1H-indene #
- indene, 1,2,3-trimethyl
-
- Inchi： 1S/C12H14/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9H,1-3H3
- InChI Key： NPXPQDMZVKFLKB-UHFFFAOYSA-N
- SMILES： C1(C)C2C=CC=CC=2C(C)=C1C
Computed Properties
- Exact Mass: 158.10962
- Monoisotopic Mass: 158.109550447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,2,3-Trimethylindene Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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