Cas no 67990-02-7 (4-chloro-2-methylcyclohexanecarboxylic acid)
67990-02-7 structure
Product Name:4-chloro-2-methylcyclohexanecarboxylic acid
CAS No:67990-02-7
MF:C8H13ClO2
MW:176.640621900558
CID:968134
PubChem ID:107029
Update Time:2025-04-19
4-chloro-2-methylcyclohexanecarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-2-methylcyclohexanecarboxylic acid
- 4-Chloro-2-methylcyclohexane-1-carboxylic acid
- Cyclohexanecarboxylic acid, 4-chloro-2-methyl-
- 67990-02-7
- cis-4-chloro-trans-2-methylcyclohexane-carboxylic acid
- SCHEMBL11229953
- NS00052570
- EINECS 268-026-7
- DTXSID70887087
- AIANUUBCPQNGBO-UHFFFAOYSA-N
-
- Inchi： 1S/C8H13ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
- InChI Key： AIANUUBCPQNGBO-UHFFFAOYSA-N
- SMILES： ClC1CCC(C(=O)O)C(C)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
4-chloro-2-methylcyclohexanecarboxylic acid Related Literature
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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