Cas no 96653-03-1 (Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)-)
96653-03-1 structure
Product Name:Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)-
CAS No:96653-03-1
MF:C13H18
MW:174.282023906708
CID:800493
Update Time:2022-09-23
Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)-
- 2-Butene,1-o-cumenyl-(7CI)
- 1-(2-Isopropyl-phenyl)-buten-(2)
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- Inchi: 1S/C13H18/c1-4-5-8-12-9-6-7-10-13(12)11(2)3/h4-7,9-11H,8H2,1-3H3/b5-4+
- InChI Key: GSPVDJNDWJJPAC-SNAWJCMRSA-N
- SMILES: C1(C/C=C/C)=CC=CC=C1C(C)C
Computed Properties
- Exact Mass: 174.141
- Monoisotopic Mass: 174.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 0A^2
Benzene,1-(2-buten-1-yl)-2-(1-methylethyl)- Related Literature
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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