Cas no 96653-04-2 (Benzene,1-(2-buten-1-yl)-4-(1-methylethyl)-)
96653-04-2 structure
Product Name:Benzene,1-(2-buten-1-yl)-4-(1-methylethyl)-
CAS No:96653-04-2
MF:C13H18
MW:174.282023906708
CID:800495
Update Time:2022-09-22
Benzene,1-(2-buten-1-yl)-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene,1-(2-buten-1-yl)-4-(1-methylethyl)-
- 2-Butene,1-p-cumenyl-(7CI)
- 1-(4-Isopropyl-phenyl)-buten-(2)
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- Inchi： 1S/C13H18/c1-4-5-6-12-7-9-13(10-8-12)11(2)3/h4-5,7-11H,6H2,1-3H3/b5-4+
- InChI Key： NWKAFCGIFKADKH-SNAWJCMRSA-N
- SMILES： C1(C/C=C/C)=CC=C(C(C)C)C=C1
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: 147
- 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)-4-(1-methylethyl)- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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