Cas no 52741-30-7 (Benzene, (1-methyl-1,2-butadienyl)-)
52741-30-7 structure
Product Name:Benzene, (1-methyl-1,2-butadienyl)-
CAS No:52741-30-7
MF:C11H12
MW:144.212983131409
CID:358982
PubChem ID:10534785
Update Time:2025-04-19
Benzene, (1-methyl-1,2-butadienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (1-methyl-1,2-butadienyl)-
- penta-2,3-dien-2-ylbenzene
- DTXSID00441313
- 52741-30-7
-
- Inchi： 1S/C11H12/c1-3-7-10(2)11-8-5-4-6-9-11/h3-6,8-9H,1-2H3
- InChI Key： CJQKTQMZTNTSIM-UHFFFAOYSA-N
- SMILES： C1(C=CC=CC=1)C(=C=CC)C
Computed Properties
- Exact Mass: 144.09396
- Monoisotopic Mass: 144.093900383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 3.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, (1-methyl-1,2-butadienyl)- Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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