Cas no 666857-64-3 (6,6'-(Cyclohexane-1,4-diyl)dihexanoic acid)
666857-64-3 structure
Product Name:6,6'-(Cyclohexane-1,4-diyl)dihexanoic acid
CAS No:666857-64-3
MF:C18H32O4
MW:312.444286346436
CID:2796291
PubChem ID:71369122
Update Time:2025-04-21
6,6'-(Cyclohexane-1,4-diyl)dihexanoic acid Chemical and Physical Properties
Names and Identifiers
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- 666857-64-3
- 6,6'-(Cyclohexane-1,4-diyl)dihexanoic acid
- DTXSID80792158
-
- Inchi： 1S/C18H32O4/c19-17(20)9-5-1-3-7-15-11-13-16(14-12-15)8-4-2-6-10-18(21)22/h15-16H,1-14H2,(H,19,20)(H,21,22)
- InChI Key： WSHFRYBDBWNORZ-UHFFFAOYSA-N
- SMILES： OC(CCCCCC1CCC(CCCCCC(=O)O)CC1)=O
Computed Properties
- Exact Mass: 312.23005950Da
- Monoisotopic Mass: 312.23005950Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 287
- 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: 5.6
- Topological Polar Surface Area: 74.6?2
6,6'-(Cyclohexane-1,4-diyl)dihexanoic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
666857-64-3 (6,6'-(Cyclohexane-1,4-diyl)dihexanoic acid) Related Products
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