Cas no 98677-98-6 (3-methoxy-1,5-dimethyl-1,3-cyclohexadiene)
98677-98-6 structure
Product Name:3-methoxy-1,5-dimethyl-1,3-cyclohexadiene
3-methoxy-1,5-dimethyl-1,3-cyclohexadiene Chemical and Physical Properties
Names and Identifiers
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- 3-methoxy-1,5-dimethyl-1,3-cyclohexadiene
- 3-methoxy-1,5-dimethylcyclohexa-1,3-diene
- 98677-98-6
- DTXSID00913126
- SCHEMBL13269852
-
- Inchi： 1S/C9H14O/c1-7-4-8(2)6-9(5-7)10-3/h5-7H,4H2,1-3H3
- InChI Key： SNEXTYOVZVMOCT-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C)CC(C)C=1
Computed Properties
- Exact Mass: 138.104
- Monoisotopic Mass: 138.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 177
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 0.9
- Boiling Point: 201.1°C at 760 mmHg
- Flash Point: 67.5°C
- Refractive Index: 1.474
3-methoxy-1,5-dimethyl-1,3-cyclohexadiene Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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