Cas no 105135-96-4 (2-Propyn-1-ol, 3-[4-(methylsulfonyl)phenyl]-)
![2-Propyn-1-ol, 3-[4-(methylsulfonyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/105500/105135-96-4x500.png)
105135-96-4 structure
Product Name:2-Propyn-1-ol, 3-[4-(methylsulfonyl)phenyl]-
CAS No:105135-96-4
MF:C10H10O3S
MW:210.249601840973
CID:1150826
PubChem ID:15923980
Update Time:2025-04-20
2-Propyn-1-ol, 3-[4-(methylsulfonyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propyn-1-ol, 3-[4-(methylsulfonyl)phenyl]-
- 3-(4-methylsulfonylphenyl)prop-2-yn-1-ol
- 105135-96-4
- DTXSID50579690
- SCHEMBL2181909
- 3-[4-(Methylsulfonyl)phenyl]-2-propyn-1-ol
- 3-[4-(Methanesulfonyl)phenyl]prop-2-yn-1-ol
- SY387280
-
- Inchi： 1S/C10H10O3S/c1-14(12,13)10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,8H2,1H3
- InChI Key： TVMQIEOTSVBZFB-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(C#CCO)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 210.0351
- Monoisotopic Mass: 210.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 331
- 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: 0.7
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- PSA: 54.37
2-Propyn-1-ol, 3-[4-(methylsulfonyl)phenyl]- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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