Cas no 63099-51-4 (1-(Buta-2,3-dien-2-yl)-4-methylbenzene)
63099-51-4 structure
Product Name:1-(Buta-2,3-dien-2-yl)-4-methylbenzene
CAS No:63099-51-4
MF:C11H12
MW:144.212983131409
CID:2789699
PubChem ID:13129790
Update Time:2025-04-21
1-(Buta-2,3-dien-2-yl)-4-methylbenzene Chemical and Physical Properties
Names and Identifiers
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- 63099-51-4
- DTXSID70520629
- 1-(buta-2,3-dien-2-yl)-4-methylbenzene
- DTXCID20471435
- 1-(Buta-2,3-dien-2-yl)-4-methylbenzene
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- Inchi： 1S/C11H12/c1-4-10(3)11-7-5-9(2)6-8-11/h5-8H,1H2,2-3H3
- InChI Key： JOXPBUHITCFBPL-UHFFFAOYSA-N
- SMILES： C1(C(=C=C)C)C=CC(C)=CC=1
Computed Properties
- Exact Mass: 144.093900383g/mol
- 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: 3.3
- Topological Polar Surface Area: 0?2
1-(Buta-2,3-dien-2-yl)-4-methylbenzene Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
63099-51-4 (1-(Buta-2,3-dien-2-yl)-4-methylbenzene) Related Products
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