Cas no 36610-31-8 (3-Hydroxy-3-(trifluoromethyl)pentanedioic acid)
36610-31-8 structure
Product Name:3-Hydroxy-3-(trifluoromethyl)pentanedioic acid
CAS No:36610-31-8
MF:C6H7F3O5
MW:216.111993074417
CID:2939870
PubChem ID:15495948
Update Time:2025-04-21
3-Hydroxy-3-(trifluoromethyl)pentanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL11509869
- VSHSKEOCTHHYEL-UHFFFAOYSA-N
- DTXSID101248606
- 36610-31-8
- 3-hydroxy-3-(trifluoromethyl)pentanedioic acid
- 3-Hydroxy-3-(trifluoromethyl)pentanedioic acid
-
- Inchi： 1S/C6H7F3O5/c7-6(8,9)5(14,1-3(10)11)2-4(12)13/h14H,1-2H2,(H,10,11)(H,12,13)
- InChI Key： VSHSKEOCTHHYEL-UHFFFAOYSA-N
- SMILES： FC(C(CC(=O)O)(CC(=O)O)O)(F)F
Computed Properties
- Exact Mass: 216.02455781Da
- Monoisotopic Mass: 216.02455781Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 230
- 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: -0.5
- Topological Polar Surface Area: 94.8?2
3-Hydroxy-3-(trifluoromethyl)pentanedioic acid Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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