Cas no 141031-85-8 (Sodium, [[4-(1-methylethyl)phenyl]ethynyl]-)
![Sodium, [[4-(1-methylethyl)phenyl]ethynyl]- structure](https://ossimg.kuujia.com/scimg/141500/141031-85-8x500.png)
141031-85-8 structure
Product Name:Sodium, [[4-(1-methylethyl)phenyl]ethynyl]-
CAS No:141031-85-8
MF:C11H11Na
MW:166.194813966751
CID:1300395
PubChem ID:71343452
Update Time:2025-04-20
Sodium, [[4-(1-methylethyl)phenyl]ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Sodium, [[4-(1-methylethyl)phenyl]ethynyl]-
- sodium,1-ethynyl-4-propan-2-ylbenzene
- Sodium 2-[4-(propan-2-yl)phenyl]ethyn-1-ide
- DTXSID50770044
- 141031-85-8
-
- Inchi： 1S/C11H11.Na/c1-4-10-5-7-11(8-6-10)9(2)3;/h5-9H,2-3H3;/q-1;+1
- InChI Key： RROHACADVHUIEQ-UHFFFAOYSA-N
- SMILES： [Na+].C(C)(C)C1C=CC(C#[C-])=CC=1
Computed Properties
- Exact Mass: 166.07593
- Monoisotopic Mass: 166.07584463g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 155
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Sodium, [[4-(1-methylethyl)phenyl]ethynyl]- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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