Cas no 107054-69-3 (1-(p-Tolyl)-2-methyl-2-butanol)
107054-69-3 structure
Product Name:1-(p-Tolyl)-2-methyl-2-butanol
CAS No:107054-69-3
MF:C12H18O
MW:178.270723819733
CID:2872408
Update Time:2023-08-10
1-(p-Tolyl)-2-methyl-2-butanol Chemical and Physical Properties
Names and Identifiers
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- 1-(p-Tolyl)-2-methyl-2-butanol
- 3-methyl-4-(p-tolyl)-3-butanol
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- Inchi： 1S/C12H18O/c1-4-12(3,13)9-11-7-5-10(2)6-8-11/h5-8,13H,4,9H2,1-3H3
- InChI Key： PGWJWAZSANOCJW-UHFFFAOYSA-N
- SMILES： OC(C)(CC)CC1C=CC(C)=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 147
- XLogP3: 3
- Topological Polar Surface Area: 20.2
1-(p-Tolyl)-2-methyl-2-butanol Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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