Cas no 61405-13-8 (Cyclohexanecarboxylic acid, 1-methyl-3-phenyl-)
61405-13-8 structure
Product Name:Cyclohexanecarboxylic acid, 1-methyl-3-phenyl-
CAS No:61405-13-8
MF:C14H18O2
MW:218.291524410248
CID:480639
PubChem ID:5228762
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 1-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 1-methyl-3-phenyl-
- 1-methyl-3-phenylcyclohexane-1-carboxylic acid
- AKOS024366879
- DTXSID50411642
- ST51000601
- 61405-13-8
-
- Inchi： 1S/C14H18O2/c1-14(13(15)16)9-5-8-12(10-14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,16)
- InChI Key： YTPNMKQQIBYZFL-UHFFFAOYSA-N
- SMILES： OC(C1(C)CCCC(C2C=CC=CC=2)C1)=O
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 3.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclohexanecarboxylic acid, 1-methyl-3-phenyl- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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