Cas no 61405-08-1 (Cyclohexanecarboxylic acid, 4,4'-(1,4-phenylene)bis[1-methyl-)
61405-08-1 structure
Product Name:Cyclohexanecarboxylic acid, 4,4'-(1,4-phenylene)bis[1-methyl-
CAS No:61405-08-1
MF:C22H30O4
MW:358.471207141876
CID:480644
PubChem ID:12287097
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 4,4'-(1,4-phenylene)bis[1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-[4-(4-carboxy-4-methylcyclohexyl)phenyl]-1-methylcyclohexane-1-carboxylic acid
- 61405-08-1
- DTXSID60484564
- Cyclohexanecarboxylic acid, 4,4'-(1,4-phenylene)bis[1-methyl-
-
- Inchi: 1S/C22H30O4/c1-21(19(23)24)11-7-17(8-12-21)15-3-5-16(6-4-15)18-9-13-22(2,14-10-18)20(25)26/h3-6,17-18H,7-14H2,1-2H3,(H,23,24)(H,25,26)
- InChI Key: SFFVFGOFALMUHA-UHFFFAOYSA-N
- SMILES: OC(C1(C)CCC(C2C=CC(=CC=2)C2CCC(C(=O)O)(C)CC2)CC1)=O
Computed Properties
- Exact Mass: 358.2145
- Monoisotopic Mass: 358.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 468
- 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: 5
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Cyclohexanecarboxylic acid, 4,4'-(1,4-phenylene)bis[1-methyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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