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1547-36-0,MFCD00040910
Catalog No.:AA003I9Q
1547-36-0 | 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$97.00   $68.00
- +
5g
97%
in stock  
$195.00   $137.00
- +
25g
97%
in stock  
$465.00   $325.00
- +
100g
97%
in stock  
$1,376.00   $963.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I9Q
Chemical Name:
4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
CAS Number:
1547-36-0
Molecular Formula:
C5H4F6O3
Molecular Weight:
226.0739
MDL Number:
MFCD00040910
IUPAC Name:
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
InChI:
InChI=1S/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)
InChI Key:
NOHJBOWARMTILE-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)F)(C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.074g/mol
Monoisotopic Mass:
226.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1547-36-0 
3,3-Bis(trifluoromethyl)-3-hydroxypropionic acid 
Butanoic acid,4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)- 
C5H4F6O3 
ACMC-20anh2 
SCHEMBL960819 
AC1L25H8 
CTK4C8385 
DTXSID20165701 
NOHJBOWARMTILE-UHFFFAOYSA-N 
ZINC2039468 
ZX-AN010869 
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid 
ZX-AP005489 
4846AD 
PC0278 
SBB051078 
AKOS005173386 
MCULE-2924267833 
VZ34852 
CC-12871 
LS-48079 
DB-043234 
BRN 1911706 
TR-006451 
FT-0616968 
ST50949111 
C-5425 
A809567 
C-12826 
I04-5166 
3-Hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid 
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl) butyric acid 
4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanoic acid 
3-Hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid 
C5-H4-F6-O3 
CID15244 
3,3-BIS -3-HYDROXYPROPIONICACID 
Butyric acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)- 
BUTYRIC ACID, 3-HYDROXY-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)- 
4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRIC ACID 
MFCD00040910 
4,4,4-Trifluoro-3-hydroxy-3-trifluoromethylbutyric acid 
Butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)- 
Literature
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