Cas no 67990-01-6 (5-Chloro-2-methylcyclohexanecarboxylic acid)
67990-01-6 structure
Product Name:5-Chloro-2-methylcyclohexanecarboxylic acid
CAS No:67990-01-6
MF:C8H13ClO2
MW:176.640621900558
CID:506263
PubChem ID:107028
Update Time:2025-04-19
5-Chloro-2-methylcyclohexanecarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Chloro-2-methylcyclohexanecarboxylic acid
- 5-chloro-2-methylcyclohexane-1-carboxylic acid
- Cyclohexanecarboxylic acid, 5-chloro-2-methyl-
- DTXSID10887086
- 67990-01-6
- SCHEMBL3678107
- NS00052942
- EINECS 268-025-1
-
- Inchi： 1S/C8H13ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
- InChI Key： RSDARHRNBUATQI-UHFFFAOYSA-N
- SMILES： ClC1CCC(C)C(C(=O)O)C1
Computed Properties
- Exact Mass: 176.06049
- Monoisotopic Mass: 176.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
5-Chloro-2-methylcyclohexanecarboxylic acid Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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