Cas no 61405-15-0 (Cyclohexanecarboxylic acid, 1-methyl-3-(2,4,6-trimethylphenyl)-)
61405-15-0 structure
Product Name:Cyclohexanecarboxylic acid, 1-methyl-3-(2,4,6-trimethylphenyl)-
CAS No:61405-15-0
MF:C17H24O2
MW:260.371265411377
CID:480637
PubChem ID:12287105
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 1-methyl-3-(2,4,6-trimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarboxylic acid, 1-methyl-3-(2,4,6-trimethylphenyl)-
- 1-methyl-3-(2,4,6-trimethylphenyl)cyclohexane-1-carboxylic acid
- DTXSID70484570
- 61405-15-0
-
- Inchi： 1S/C17H24O2/c1-11-8-12(2)15(13(3)9-11)14-6-5-7-17(4,10-14)16(18)19/h8-9,14H,5-7,10H2,1-4H3,(H,18,19)
- InChI Key： PCNJIBGOVCMDBY-UHFFFAOYSA-N
- SMILES： OC(C1(C)CCCC(C2C(C)=CC(C)=CC=2C)C1)=O
Computed Properties
- Exact Mass: 260.17772
- Monoisotopic Mass: 260.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclohexanecarboxylic acid, 1-methyl-3-(2,4,6-trimethylphenyl)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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