Cas no 827574-77-6 (Benzene, 1-[(4-methoxyphenyl)ethynyl]-3-methyl-)
![Benzene, 1-[(4-methoxyphenyl)ethynyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/828000/827574-77-6x500.png)
827574-77-6 structure
Product Name:Benzene, 1-[(4-methoxyphenyl)ethynyl]-3-methyl-
CAS No:827574-77-6
MF:C16H14O
MW:222.281764507294
CID:684082
PubChem ID:12158024
Update Time:2025-04-19
Benzene, 1-[(4-methoxyphenyl)ethynyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(4-methoxyphenyl)ethynyl]-3-methyl-
- 1-methoxy-4-[2-(3-methylphenyl)ethynyl]benzene
- INDEX NAME NOT YET ASSIGNED
- 1-[(4-Methoxyphenyl)ethynyl]-3-methylbenzene
- 1-((4-methoxyphenyl)ethynyl)-3-methylbenzene
- DTXSID70478797
- 827574-77-6
-
- Inchi： 1S/C16H14O/c1-13-4-3-5-15(12-13)7-6-14-8-10-16(17-2)11-9-14/h3-5,8-12H,1-2H3
- InChI Key： QMLXATQAEVBXTM-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C#CC2=CC=CC(C)=C2)=CC=1
Computed Properties
- Exact Mass: 222.104465066g/mol
- Monoisotopic Mass: 222.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 287
- 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: 4.3
- Topological Polar Surface Area: 9.2?2
Benzene, 1-[(4-methoxyphenyl)ethynyl]-3-methyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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
827574-77-6 (Benzene, 1-[(4-methoxyphenyl)ethynyl]-3-methyl-) Related Products
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