Home Other Building Blocks 3,3,3-TRIFLUOROLACTIC ACID

3,3,3-TRIFLUOROLACTIC ACID

CAS No.:
684-07-1
Catalog Number:
AG003IBT
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003IBT
Chemical Name:
3,3,3-TRIFLUOROLACTIC ACID
CAS Number:
684-07-1
MDL Number:
MFCD00051802
IUPAC Name:
3,3,3-trifluoro-2-hydroxypropanoic acid
InChI:
InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)
InChI Key:
BVKGUTLIPHZYCX-UHFFFAOYSA-N
NSC Number:
56231
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.003g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
144.049g/mol
Monoisotopic Mass:
144.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Biotransformation of 2,3,3,3-tetrafluoropropene (HFO-1234yf). Toxicology and applied pharmacology 20081201
Use of 19F-nuclear magnetic resonance and gas chromatography-electron capture detection in the quantitative analysis of fluorine-containing metabolites in urine of sevoflurane-anaesthetized patients. Xenobiotica; the fate of foreign compounds in biological systems 20040301
Reactive intermediate formation from the 2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (compound A)-derived cysteine S-conjugate S-[2-(Fluoromethoxy)-1,1,3,3,3-pentafluoropropyl]-L-cysteine in pyridoxal model systems. Chemical research in toxicology 20020501
Properties