Cas no 98677-97-5 (3-methoxy-1-methyl-1,3-cyclohexadiene)
98677-97-5 structure
Product Name:3-methoxy-1-methyl-1,3-cyclohexadiene
3-methoxy-1-methyl-1,3-cyclohexadiene Chemical and Physical Properties
Names and Identifiers
-
- 3-methoxy-1-methyl-1,3-cyclohexadiene
- 3-methoxy-1-methylcyclohexa-1,3-diene
- DTXSID80243776
- 98677-97-5
- SCHEMBL10181202
-
- Inchi： 1S/C8H12O/c1-7-4-3-5-8(6-7)9-2/h5-6H,3-4H2,1-2H3
- InChI Key： IGWOPMYDPJKFJT-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C)CCC=1
Computed Properties
- Exact Mass: 124.089
- Monoisotopic Mass: 124.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 154
- 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: 1.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 0.92
- Boiling Point: 189.3°C at 760 mmHg
- Flash Point: 60°C
- Refractive Index: 1.477
3-methoxy-1-methyl-1,3-cyclohexadiene Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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