Cas no 63167-29-3 (Propanedioic acid, (trifluoromethyl)-)
63167-29-3 structure
Product Name:Propanedioic acid, (trifluoromethyl)-
CAS No:63167-29-3
MF:C4H3F3O4
MW:172.059432268143
CID:427115
PubChem ID:23168346
Update Time:2025-04-19
Propanedioic acid, (trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (trifluoromethyl)-
- 2-(trifluoromethyl)propanedioic acid
- SCHEMBL9420035
- 63167-29-3
- DTXSID00631171
- (Trifluoromethyl)propanedioic acid
- trifluoromethylmalonic acid
-
- Inchi： 1S/C4H3F3O4/c5-4(6,7)1(2(8)9)3(10)11/h1H,(H,8,9)(H,10,11)
- InChI Key： SRHMUBLEYKHPGK-UHFFFAOYSA-N
- SMILES： FC(C(C(=O)O)C(=O)O)(F)F
Computed Properties
- Exact Mass: 171.99829
- Monoisotopic Mass: 171.99834306g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 0.6
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Propanedioic acid, (trifluoromethyl)- Related Literature
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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
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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